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##BLOCK_ID=	1
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##ORIGIN=	Mestrelab Research S.L.
##OWNER=	tsh21
##$MNOVA/LINK_BLOCK_TYPE=	ITEM	$$ NMR Spectrum
##$MNOVA/ITEM/POLYGON=	(XY..XY)
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##$MNOVA/ITEM/Z=	0
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##TITLE=	tsh21
##JCAMP-DX=	6.0	$$ MestReNova 14.1.0-24037
##BLOCK_ID=	2
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##.OBSERVE FREQUENCY=	399.79071365325000897
##.OBSERVE NUCLEUS=	^1H
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##.PULSE SEQUENCE=	proton.jxp
##LONGDATE=	2022/02/23 20:01:43.000
##.ACQUISITIONMODE=	SIMULTANEOUS
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##$OBSERVED INTEGRALS=	(X Y Z)
(7.1423690254950837897, 7.2228864466274771416, 0.11197146188712049641)
(6.9335723603928238745, 7.0136289350035019297, 0.11139223477724782829)
(2.5862929655497390868, 2.6882903522808456742, 0.11260431729007318313)
(2.4894832120518008978, 2.5721415934911622259, 0.11282800740724285848)
(1.6849034741780037905, 1.7861685176479085158, 0.11001486565378713889)
(1.3575007249029098499, 1.4658782495171085447, 0.15212793523403381202)
(1.1862551424209570872, 1.3575007249029098499, 2.1138765290703500632)
(0.84181463504819720178, 0.92084479452033263236, 0.17518464868014432811)
##$OBSERVED MULTIPLETS=	
(1, 7.1423690254950837897, 7.2228864466274771416, 7.1808754851101070926, 2.0874252055712063658, 2, m, 1a&comma;3a&comma;4a&comma;6a)
(2, 6.9335723603928238745, 7.0136289350035019297, 6.9754493398585646347, 2.0239897203123380365, 2, m, B)
(3, 2.5862929655497390868, 2.6882903522808456742, 2.6373187302640479501, 2.0302952550776320884, 2, q, 7a&comma;7b, 7.57513 7.57513 7.5968)
(4, 2.4894832120518008978, 2.5721415934911622259, 2.5308467109784573701, 2.0728073983734440766, 2, t, D, 7.52261 7.52261)
(5, 1.6849034741780037905, 1.7861685176479085158, 1.735635024047215591, 1.97415454340879859, 2, q, 12a&comma;12b, 7.48935 7.48935 7.56854)
(6, 1.3324592162050499233, 1.4658782495171085447, 1.3949745566820781484, 2.0495000305192117018, 2, m, 14b&comma;15b&comma;16b&comma;17b&comma;18b&comma;19b&comma;20b&comma;21b&comma;22b&comma;23b&comma;24b&comma;25b&comma;26b&comma;27b&comma;28b&comma;29b&comma;30b)
(7, 1.1862551424209570872, 1.3570572097290103386, 1.2576746261360398638, 11.195777440334188313, 11, dt, 8a&comma;8b&comma;8c&comma;13a&comma;13b&comma;14a&comma;15a&comma;16a&comma;17a&comma;18a&comma;19a&comma;20a&comma;21a&comma;22a&comma;23a&comma;24a&comma;25a&comma;26a&comma;27a&comma;28a&comma;29a&comma;30a&comma;31a&comma;31b, 8.1581 8.1581 24.9844)
(8, 1.2370475668274927283, 1.2820730665985469177, 1.259560316713019823, 25.861925678198939949, 26, s, H)
(9, 0.84181463504819720178, 0.92084479452033263236, 0.88157014712516801325, 2.7041247282042455424, 3, t, 32a&comma;32b&comma;32c, 6.79733 6.79733)
##$OBSERVED MULTIPLETS PEAKS=	
(1, 7.200373696741950269, 0.0053819201662034217917)
(1, 7.1932116631249121141, 0.089823290677573816576)
(1, 7.1881650152101501661, 0.021573230724747972237)
(1, 7.1774022228374452226, 0.023518594761608918597)
(1, 7.1720125693679621648, 0.098390408209589899635)
(1, 7.1648817753806106623, 0.0078916793212746166875)
(2, 6.991116185117975057, 0.013228711226713388283)
(2, 6.9842287572284948993, 0.13846268128843192136)
(2, 6.9791068966274485419, 0.036804663163884115962)
(2, 6.968127942881790382, 0.030414666196638431156)
(2, 6.9630123657197495746, 0.11111610519233564021)
(2, 6.9560851102783507471, 0.0084563755690491518996)
(3, 2.6657776023953183575, 0.027335614142317717773)
(3, 2.6468839970320634514, 0.082081384830142767317)
(3, 2.6278076061935444763, 0.08585241934534315611)
(3, 2.6088057154352664035, 0.029370958454362494638)
(4, 2.5496288436056349092, 0.068690874873943888468)
(4, 2.5309153273924085426, 0.12146103113213262137)
(4, 2.5119959619373282145, 0.077236812347218769537)
(5, 1.7636557677623814211, 0.027513222035634228579)
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##END=	
##TITLE=	tsh21
##JCAMP-DX=	6.0	$$ MestReNova 14.1.0-24037
##BLOCK_ID=	3
##DATA TYPE=	NMR PEAK TABLE
##DATA CLASS=	PEAK TABLE
##CROSS REFERENCE=	NMR SPECTRUM: BLOCK_ID=2                                     
##.OBSERVE FREQUENCY=	399.79071365325000897
##.OBSERVE NUCLEUS=	^1H
##NPOINTS=	218
##FIRSTX=	0.074364347398985605753
##LASTX=	10.142646498695382817
##XFACTOR=	1
##YFACTOR=	1
##FIRSTY=	9.2445269469591104445e-05
##XUNITS=	PPM
##YUNITS=	ARBITRARY UNITS
##PEAK TABLE=	(XYW..XYW)
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7.1932116631249121141,0.089823290677573816576,0.0037559127289490787556
7.200373696741950269,0.0053819201662034217917,0.001816893166699242064
7.2314895355192003734,0.00014748232589814031066,0.0048611523772039135979
7.2476179499670756456,0.021383014132331030349,0.0013242500135744311989
7.2686287201119306189,0.00065569638870608673228,0.0034725531396936014893
7.2755399425934754731,5.590366567021900964e-05,0.0043813683231720109215
7.2879364000073243446,0.00031432555433266051335,0.0035455271093936366507
7.3035146425752595079,0.0001987373934701031704,0.0061873202038747188158
7.3222285574657020035,0.00046177265962090601522,0.0037745200276746789132
7.3281049385133814056,0.00014930849220686566621,0.0028760099392179036548
7.3383684978337937466,0.00010958915136577800889,0.0029638079186471203395
7.3434251875529135134,0.00029883656229453447106,0.005495663307079362396
7.3637340820122378915,0.00023267010195681056832,0.0047697525577800976501
7.3687496291642187174,0.00028274065585929213486,0.0058724375578960057512
7.3741880882603307867,9.4860304857189198962e-05,0.0027948363243780502234
7.3877531933694866595,0.00027715813888727972025,0.011577989924682502779
7.452076327919053611,7.3560673493146554224e-05,0.0021262418318147295777
7.4558271272694662812,5.2297620030952806736e-05,0.002204334391843725937
7.5069103180013163623,0.00010482278861703855444,0.0021645548819046269741
7.5313634580903814353,6.4835912644579645077e-05,0.0026948437825384608316
7.5371945135461899667,5.9984251892495923074e-05,0.0021514984294806406735
7.556791089988107224,6.9972656607457465452e-05,0.0023348953311840814871
7.5935049037437760688,0.00010486637068777639496,0.0030919069695008222394
7.6934900773205194824,4.6946598214907149505e-05,0.0018070754364639281513
9.8890434539357059407,7.5242376272796905644e-05,0.0012859681432834107074
10.142646498695382817,0.00017075913845212260605,0.0028980429560740016311
##$MNOVA/PEAK_DATA_TABLE=	(T,F,A,ST,SP,APT,APC)
$$ Complementary to PEAK TABLE
$$ T: Type
$$ F: Flags
$$ A: Annotation
$$ ST: Shape Type
$$ SP: Shape Parameter
$$ APT: Attached Peaks Type
$$ APC: Attached Peaks Count
Impurity,Artifact|Weak,,1,-1,0,0
Impurity,Artifact|Weak,,1,0.99752450304481987686,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.57952291323064553108,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.015297866505672698401,0,0
Impurity,Artifact|Weak,,1,-0.90707647057471385565,0,0
Artifact,Artifact|Weak,,1,-0.92174911850271268321,0,0
Impurity,Artifact|Weak,,1,0.5903207400158820839,0,0
Artifact,Artifact|Weak,,1,1.1144465495263680133,0,0
Artifact,Artifact|Weak,,1,0.40000000000000007772,0,0
Artifact,Artifact|Weak,,1,-0.055590323724777887526,0,0
Artifact,Artifact|Weak,,1,-0.2000000000000000111,0,0
Artifact,Artifact|Weak,,1,0.016776503131138237324,0,0
Artifact,Artifact|Weak,,1,-0.84235629693297342513,0,0
Compound,None,,1,-0.14165668865012237543,0,0
Compound,None,,1,-0.60000000000000008882,0,0
Compound,None,,1,0.53969836957193595417,0,0
Compound,None,,1,-0.030923322405357597797,0,0
Artifact,Artifact|Weak,,1,1.4343890897168465326,0,0
Artifact,Artifact|Weak,,1,1.1537858704976002855,0,0
Artifact,Artifact|Weak,,1,1.8939266530518132914,0,0
Artifact,Artifact|Weak,,1,0.94548677156985805325,0,0
Artifact,Artifact|Weak,,1,-0.26102020164285466564,0,0
Artifact,Artifact|Weak,,1,-0.23095824146840099322,0,0
Artifact,Artifact|Weak,,1,1.1355644421887540751,0,0
Artifact,Artifact|Weak,,1,0.34754943634726831458,0,0
Artifact,Artifact|Weak,,1,-1,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-1,0,0
Impurity,Artifact|Weak,,1,-1,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.0035117168059413499115,0,0
Artifact,Artifact|Weak,,1,1.9867834602178571224,0,0
Impurity,Artifact|Weak,,1,-0.40000000000000007772,0,0
Artifact,Artifact|Weak,,1,1.999999999999999778,0,0
Impurity,Artifact|Weak,,1,-0.11284335367018250018,0,0
Impurity,Artifact|Weak,,1,0,0,0
Artifact,Artifact|Weak,,1,1,0,0
Artifact,Artifact|Weak,,1,1.999999999999999778,0,0
Artifact,Artifact|Weak,,1,-1,0,0
Artifact,Artifact|Weak,,1,1.999999999999999778,0,0
Artifact,Artifact|Weak,,1,-0.48226887370576310143,0,0
Artifact,Artifact|Weak,,1,-1,0,0
Artifact,Artifact|Weak,,1,-0.50876883849368215174,0,0
Artifact,Artifact|Weak,,1,-0.84448949989020016815,0,0
Compound,None,,1,-0.094073669868301401653,0,0
Artifact,Artifact|Weak,,1,1.999999999999999778,0,0
Artifact,Artifact|Weak,,1,1.999999999999999778,0,0
Compound,None,,1,0.78427763099222058685,0,0
Artifact,Artifact|Weak,,1,1.8631557168297170346,0,0
Compound,None,,1,0.72784507648944396507,0,0
Compound,None,,1,-0.47058620921845795149,0,0
Compound,None,,1,1.6503443132888129252,0,0
Compound,None,,1,-0.04895175024302647615,0,0
Artifact,Artifact|Weak,,1,-0.6289230391923155139,0,0
Compound,None,,1,1.1999999999999999556,0,0
Compound,Artifact|Weak,,1,0.32743222780427377883,0,0
Compound,None,,1,-0.2901666886829804004,0,0
Compound,None,,1,-0.28918448226449411376,0,0
Artifact,Artifact|Weak,,1,0.6529090802066955801,0,0
Compound,None,,1,1.1521413612081945477,0,0
Compound,None,,1,0.88482338101830060317,0,0
Compound,None,,1,-0.034304729311597746688,0,0
Artifact,Artifact|Weak,,1,-0.88172092922527989245,0,0
Compound,None,,1,0.20000000000000006661,0,0
Compound,None,,1,-0.2000000000000000111,0,0
Compound,None,,1,0.40000000000000007772,0,0
Compound,None,,1,-0.66378321730817102519,0,0
Compound,None,,1,0.19723723418279437425,0,0
Compound,None,,1,0,0,0
Impurity,Artifact|Weak,,1,-1,0,0
Compound,Artifact|Weak,,1,-0.92366449279350670842,0,0
Artifact,Artifact|Weak,,1,-1,0,0
Impurity,Artifact|Weak,,1,-0.60712417983254129972,0,0
Impurity,None,,1,-0.13359483861738724597,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.40000000000000007772,0,0
Compound,None,,1,0.06496446084791637765,0,0
Compound,None,,1,0.77513264357929922976,0,0
Compound,None,,1,-0.30424377395764895526,0,0
Compound,None,,1,-0.15448062111056831691,0,0
Solvent,2ry Solvent,,1,0.11383381013447158026,0,0
Artifact,Artifact|Weak,,1,-1,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.99788344160808106764,0,0
Artifact,Artifact|Weak,,1,-0.25096944852772179457,0,0
Impurity,Artifact|Weak,,1,0.23923184593697993661,0,0
Impurity,Artifact|Weak,,1,-1,0,0
Impurity,Artifact|Weak,,1,1.5698776454604663755,0,0
Artifact,Artifact|Weak,,1,-0.93375548421721887848,0,0
Impurity,Artifact|Weak,,1,0.2000000000000000111,0,0
Impurity,Artifact|Weak,,1,0.35841587947568032124,0,0
Impurity,Artifact|Weak,,1,0.33860989862341200896,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.10589067781280019076,0,0
Artifact,Artifact|Weak,,1,1.999999999999999778,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.030382692315932768867,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,1.1125994190351746749,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.50276798716972659342,0,0
Artifact,Artifact|Weak,,1,1.999999999999999778,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,1.1997682354769509949,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.72413984922698027002,0,0
Compound,None,,1,0.27409718836617702475,0,0
Compound,None,,1,-0.13707408301416212915,0,0
Compound,None,,1,0.076375755440278969566,0,0
Artifact,Artifact|Weak,,1,-0.39566110884144806148,0,0
Artifact,Artifact|Weak,,1,0.19503963021411591106,0,0
Impurity,Artifact|Weak,,1,-0.97546024012544152448,0,0
Artifact,Artifact|Weak,,1,-1,0,0
Compound,None,,1,0.81838020669349631486,0,0
Compound,None,,1,0.95805659484010652349,0,0
Compound,None,,1,0.80000000000000004441,0,0
Compound,None,,1,0.90127818985838559218,0,0
Artifact,Artifact|Weak,,1,-0.033102293209579566891,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.42577881833206265849,0,0
Artifact,Artifact|Weak,,1,1,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.5158554988115625628,0,0
Artifact,Artifact|Weak,,1,1.999999999999999778,0,0
Artifact,Artifact|Weak,,1,0.74569110589175480186,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.28525244023555829109,0,0
Impurity,Artifact|Weak,,1,-0.15386103328453304417,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0,0,0
Impurity,Artifact|Weak,,1,1.7999999999999998224,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.5296187330183286246,0,0
Impurity,Artifact|Weak,,1,-0.32909112878471152852,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.14029374869061525533,0,0
Impurity,Artifact|Weak,,1,-0.22944545809893548971,0,0
Impurity,Artifact|Weak,,1,0.0047278548671094936667,0,0
Impurity,Artifact|Weak,,1,0.10314836300283680703,0,0
Impurity,Artifact|Weak,,1,0.11634017711205653367,0,0
Artifact,Artifact|Weak,,1,0.95928091761234846047,0,0
Impurity,Artifact|Weak,,1,0.3568651064844866605,0,0
Impurity,Artifact|Weak,,1,0.73020864537881147172,0,0
Impurity,Artifact|Weak,,1,-0.20000000000000006661,0,0
Impurity,Artifact|Weak,,1,0.027220696098290309006,0,0
Impurity,Artifact|Weak,,1,-0.43430604502557712543,0,0
Artifact,Artifact|Weak,,1,0.047203215914328272573,0,0
Artifact,Artifact|Weak,,1,-0.89343958086919594841,0,0
Impurity,Artifact|Weak,,1,0.31890262229859511756,0,0
Impurity,Artifact|Weak,,1,0,0,0
Impurity,Artifact|Weak,,1,0.41654657394124261494,0,0
Impurity,Artifact|Weak,,1,-1,0,0
Impurity,Artifact|Weak,,1,-0.25781786077525725709,0,0
Impurity,Artifact|Weak,,1,1.1314013744586624011,0,0
Artifact,Artifact|Weak,,1,1.8209419579444467985,0,0
Impurity,Artifact|Weak,,1,-0.079530722360046129937,0,0
Impurity,Artifact|Weak,,1,0.40000000000000007772,0,0
Impurity,Artifact|Weak,,1,-0.30465818554405860175,0,0
Impurity,Artifact|Weak,,1,-0.088773063002499680296,0,0
Impurity,Artifact|Weak,,1,0.77608522902959131695,0,0
Impurity,Artifact|Weak,,1,1.7999999999999998224,0,0
Impurity,Artifact|Weak,,1,0.90461711939401034943,0,0
Artifact,Artifact|Weak,,1,1.9248776861814569372,0,0
Impurity,Artifact|Weak,,1,0.2000000000000000111,0,0
Impurity,Artifact|Weak,,1,-0.60000000000000008882,0,0
Impurity,Artifact|Weak,,1,0.34649289104085673197,0,0
Impurity,Artifact|Weak,,1,-0.01896764457447107366,0,0
Impurity,Artifact|Weak,,1,0.2000000000000000111,0,0
Artifact,Artifact|Weak,,1,1.999999999999999778,0,0
Impurity,Artifact|Weak,,1,-0.4361642165315968156,0,0
Impurity,Artifact|Weak,,1,0.22606287108857270329,0,0
Impurity,Artifact|Weak,,1,1.1999999999999999556,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.2000000000000000111,0,0
Impurity,Artifact|Weak,,1,0.60000000000000008882,0,0
Impurity,Artifact|Weak,,1,0.39537360209575495018,0,0
Impurity,Artifact|Weak,,1,-0.11344514366703983832,0,0
Impurity,Artifact|Weak,,1,-5.5511151231257827021e-17,0,0
Artifact,Artifact|Weak,,1,-0.69271846337828502094,0,0
Impurity,Artifact|Weak,,1,0.11187798766603068712,0,0
Impurity,Artifact|Weak,,1,-0.51257957839227541452,0,0
Artifact,Artifact|Weak,,1,1.999999999999999778,0,0
Compound,None,,1,0.81216556519648441803,0,0
Compound,None,,1,0.393586731108496235,0,0
Compound,None,,1,0.54783205843997806461,0,0
Compound,None,,1,0.034863976628706973282,0,0
Compound,None,,1,0.89615245652609698546,0,0
Compound,None,,1,0.10909532776397613818,0,0
Artifact,Artifact|Weak,,1,1.2825743422915230063,0,0
Artifact,Artifact|Weak,,1,1.1354348890510770342,0,0
Artifact,Artifact|Weak,,1,-1,0,0
Artifact,Artifact|Weak,,1,-0.28605267925187749523,0,0
Artifact,Artifact|Weak,,1,-0.8239206579188056434,0,0
Artifact,Artifact|Weak,,1,1.4559036766553783426,0,0
Impurity,Artifact|Weak,,1,-0.5275717181210720641,0,0
Impurity,Artifact|Weak,,1,0.40000000000000007772,0,0
Artifact,Artifact|Weak,,1,0.18922724443365251945,0,0
Artifact,Artifact|Weak,,1,-0.8971886610778050386,0,0
Artifact,Artifact|Weak,,1,0.18117093853263535608,0,0
Artifact,Artifact|Weak,,1,1.999999999999999778,0,0
Artifact,Artifact|Weak,,1,1.5999999999999998668,0,0
Artifact,Artifact|Weak,,1,0.098702796017923727367,0,0
Artifact,Artifact|Weak,,1,0.19408126887242271863,0,0
Artifact,Artifact|Weak,,1,1.1722061236633205539,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.22988259825709886353,0,0
Compound,None,,1,0.60000000000000008882,0,0
Compound,None,,1,0.95683667014667550532,0,0
Compound,None,,1,0.58620798315410493906,0,0
Compound,None,,1,-0.9484826088156639301,0,0
Compound,None,,1,0.71056266278798452252,0,0
Compound,Artifact|Weak,,1,-0.088467099972598134405,0,0
Artifact,Artifact|Weak,,1,-0.46063162903289112116,0,0
Solvent,None,,1,-0.2000000000000000111,0,0
Impurity,Artifact|Weak,,1,1.1538536049391705518,0,0
Artifact,Artifact|Weak,,1,-0.82225564862696698398,0,0
Impurity,Artifact|Weak,,1,1,0,0
Impurity,Artifact|Weak,,1,-1,0,0
Impurity,Artifact|Weak,,1,0.16033448228817098746,0,0
Impurity,Artifact|Weak,,1,0.50153717317244073115,0,0
Impurity,Artifact|Weak,,1,-0.18672671827935141686,0,0
Impurity,Artifact|Weak,,1,-0.17277759519644844688,0,0
Impurity,Artifact|Weak,,1,0.035311066182528411117,0,0
Impurity,Artifact|Weak,,1,0.7665780619348957492,0,0
Impurity,Artifact|Weak,,1,1.0080750937860269989,0,0
Impurity,Artifact|Weak,,1,1.6842576785682852325,0,0
Impurity,Artifact|Weak,,1,1.999999999999999778,0,0
Artifact,Artifact|Weak,,1,1.1999999999999999556,0,0
Solvent,Artifact|Impurity|Weak|13C Sat.,,1,0.66259625501952357229,0,0
Impurity,Artifact|Weak,,1,0.70453385838748594505,0,0
Impurity,Artifact|Weak,,1,0.36507767351258368915,0,0
Impurity,Artifact|Weak,,1,-1,0,0
Impurity,Artifact|Weak,,1,-0.40000000000000007772,0,0
Artifact,Artifact|Weak,,1,1.725531466302832051,0,0
Impurity,Artifact|Weak,,1,-0.59654632490696979374,0,0
Impurity,Artifact|Weak,,1,0.72890087718989970966,0,0
##END=	
##END=	
