IR Data for Compound 40.

DOI: 10.14469/hpc/11577 Metadata

Created: 2022-10-26 14:05

Last modified: 2024-05-28 17:00

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

IR Spectrum for Bis(ethyl 5-hydroxy-1-phenyl-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium (40)

Files

FilenameSizeTypeDescription
TM-VI-158_2021-11-24T14-59-16.pdf 60KB application/pdf IR Spectrum
40.png 48KB image/png Image structure representation
40.cdxml 16KB chemical/x-cdxml Chemdraw connection table
40.mol 6KB chemical/x-mdl-molfile MDL Molfile
40.cdxml 20KB chemical/x-cdxml Chemdraw connection table, V2
40.mol 5KB chemical/x-mdl-molfile MDL Molfile V2
40-v3.mol 4KB chemical/x-mdl-molfile MDL Molfile (V3), V2
40.cdxml 19KB chemical/x-cdxml Chemdraw connection table, V3

Member of collection / collaboration

DOIDescription
10.14469/hpc/11395 Compound 40: Bis(ethyl 5-hydroxy-1-phenyl-1H-pyrazole-4-carboxylate)tetrakis(acetato)dirhodium

Subject Keywords

KeywordValue
IFD.IR IR Spectrum
inchi InChI=1S/2C12H12N2O3.3C2H4O2.CH2O2.2Rh/c2*1-2-17-12(16)10-8-13-14(11(10)15)9-6-4-3-5-7-9;3*1-2(3)4;2-1-3;;/h2*3-8,15H,2H2,1H3;3*1H3,(H,3,4);1H,(H,2,3);;/q;;;;;;2*+2/p-4
inchi InChI=1S/C8H11N.8CH4.H3N.8H2O.2Rh/c1-9(2)8-6-4-3-5-7-8;;;;;;;;;;;;;;;;;;;/h3-7H,1-2H3;8*1H4;1H3;8*1H2;;
inchikey WGBLMKJHPCVTIH-UHFFFAOYSA-J
inchikey SUCRYBSKBXJFMA-UHFFFAOYSA-N
SMILES CC1=O[Rh]2(OC(C)=O3)(O=C(O4)C)(N5=CC(C(OCC)=O)=C(O)N5C6=CC=CC=C6)[Rh]34(O=C(O2)C)(N7=CC(C(OCC)=O)=C(O)N7C8=CC=CC=C8)O1

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