IR data for Compound 16.

DOI: 10.14469/hpc/11543 Metadata

Created: 2022-10-25 14:51

Last modified: 2024-04-01 12:24

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

IR data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)magnesium (16)

Files

FilenameSizeTypeDescription
TM-VI-104solid_2021-10-05T16-20-27.pdf 62KB application/pdf IR Spectrum
16.png 30KB image/png Image structure representation
16.cdxml 16KB chemical/x-cdxml Chemdraw connection table
16.mol 3KB chemical/x-mdl-molfile MDL Molfile

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DOIDescription
10.14469/hpc/11335 Compound 16: bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)magnesium

Subject Keywords

KeywordValue
IFD.IR IR Spectrum
inchi InChI=1S/2C12H12N2O3.2C2H6O.Mg/c2*1-2-17-12(16)10-8-13-14(11(10)15)9-6-4-3-5-7-9;2*1-2-3;/h2*3-8,15H,2H2,1H3;2*3H,2H2,1H3;/q;;;;+2/p-2
inchikey FCXMPNFUGCYHCR-UHFFFAOYSA-L
SMILES [H]O(CC)[Mg]12(OC3=C(C(OCC)=O1)C=NN3C4=CC=CC=C4)(OC5=C(C(OCC)=O2)C=NN5C6=CC=CC=C6)O([H])CC

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