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4H-1,2,4-Triazole-3-carboxamide, 4-(4-chlorophenyl)-N-(2-oxo-1,2-diphenylethyl)-N,5-diphenyl-
SpectraBase Compound ID FxGigwbvEmB
InChI InChI=1S/C35H25ClN4O2/c36-28-21-23-30(24-22-28)40-33(27-17-9-3-10-18-27)37-38-34(40)35(42)39(29-19-11-4-12-20-29)31(25-13-5-1-6-14-25)32(41)26-15-7-2-8-16-26/h1-24,31H
InChIKey HLVXTMQSIXMPKU-UHFFFAOYSA-N
Mol Weight 569.1 g/mol
Molecular Formula C35H25ClN4O2
Exact Mass 568.166604 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JP33RW6l8Ey
Name 4H-1,2,4-Triazole-3-carboxamide, 4-(4-chlorophenyl)-N-(2-oxo-1,2-diphenylethyl)-N,5-diphenyl-
CAS Registry Number 113372-22-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H25ClN4O2
InChI InChI=1S/C35H25ClN4O2/c36-28-21-23-30(24-22-28)40-33(27-17-9-3-10-18-27)37-38-34(40)35(42)39(29-19-11-4-12-20-29)31(25-13-5-1-6-14-25)32(41)26-15-7-2-8-16-26/h1-24,31H
InChIKey HLVXTMQSIXMPKU-UHFFFAOYSA-N
Molecular Weight 569.064 g/mol
SMILES c1ccc(cc1)-c1nnc(C(N(c2ccccc2)C(c2ccccc2)C(c2ccccc2)=O)=O)[n]1-c1ccc(cc1)Cl
SPLASH splash10-03di-1753900000-69440f651d5bb4e8c02b
Source of Spectrum Y-24-1283-3
Synonyms 4-(4-Chlorophenyl)-N-(2-oxo-1,2-diphenylethyl)-N,5-diphenyl-4H-1,2,4-triazole-3-carboxamide 4-(4-Chlorophenyl)-N-(2-oxidanylidene-1,2-diphenyl-ethyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide 4-(4-Chlorophenyl)-N-(2-oxo-1,2-diphenyl-ethyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide 4-(4-Chlorophenyl)-N-desyl-N,5-diphenyl-1,2,4-triazole-3-carboxamide
Wiley ID 1407556