IR data for Compound 18.

DOI: 10.14469/hpc/11516 Metadata

Created: 2022-10-25 07:44

Last modified: 2024-04-01 09:00

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

IR Data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1H-pyrazol-5-olate)magnesium (18)

Files

FilenameSizeTypeDescription
TM-VI-106solid_2021-10-05T17-03-04.pdf 59KB application/pdf IR Data as PDF
18.cdxml 14KB chemical/x-cdxml Chemdraw connection table
18.png 29KB image/png Image representation
18.mol 3KB chemical/x-mdl-molfile MDL Molfile

Member of collection / collaboration

DOIDescription
10.14469/hpc/11339 Compound 18: Bis(ethanol) bis(4-(ethoxycarbonyl)-1H-pyrazol-5-olate)magnesium

Associated DOIs

Current dataset ...DOIDescription
References 10.14469/hpc/11344 Crystal stucture

Subject Keywords

KeywordValue
IFD.IR IR spectrum
inchi InChI=1S/2C6H8N2O3.2C2H6O.Mg/c2*1-2-11-6(10)4-3-7-8-5(4)9;2*1-2-3;/h2*3H,2H2,1H3,(H2,7,8,9);2*3H,2H2,1H3;/q;;;;+2/p-2
inchikey VHSWAKOPFLHREY-UHFFFAOYSA-L
SMILES [H]O(CC)[Mg]12(OC3=C(C(OCC)=O1)C=NN3)(OC4=C(C(OCC)=O2)C=NN4)O[H].C

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