IR Data for Compound 17.

DOI: 10.14469/hpc/11527 Metadata

Created: 2022-10-25 09:33

Last modified: 2024-04-01 09:50

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

IR data for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium (17)

Files

FilenameSizeTypeDescription
TM-VI-169_2021-11-24T15-46-52.pdf 61KB application/pdf IR spectrum as PDF
17.png 30KB image/png Image structure representation
17.cdxml 20KB chemical/x-cdxml Chemdraw connection table
17.mol 5KB chemical/x-mdl-molfile MDL Molfile

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DOIDescription
10.14469/hpc/11337 Compound 17: Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium

Subject Keywords

KeywordValue
IFD.IR IR Spectrum
inchi InChI=1S/2C18H16N2O3.2C2H6O.Mg/c2*1-23-15-9-7-13(8-10-15)12-20-18(22)16(11-19-20)17(21)14-5-3-2-4-6-14;2*1-2-3;/h2*2-11,22H,12H2,1H3;2*3H,2H2,1H3;/q;;;;+2/p-2
inchikey RZJUIECYXQVFPY-UHFFFAOYSA-L
SMILES [H]O(CC)[Mg]12(OC3=C(C(C4=CC=CC=C4)=O1)C=NN3CC5=CC=C(OC)C=C5)(OC6=C(C(C7=CC=CC=C7)=O2)C=NN6CC8=CC=C(OC)C=C8)O([H])CC

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