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4-Acetyl-2,5-diphenyl-1,2,4-triazol-3-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Acetyl-2,5-diphenyl-1,2,4-triazol-3-one
SpectraBase Compound ID H8QlsQCLkvA
InChI InChI=1S/C16H13N3O2/c1-12(20)18-15(13-8-4-2-5-9-13)17-19(16(18)21)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey LDNSCHYVZLUUDI-UHFFFAOYSA-N
Mol Weight 279.3 g/mol
Molecular Formula C16H13N3O2
Exact Mass 279.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AugdcBAj0fu
Name 4-Acetyl-2,5-diphenyl-1,2,4-triazol-3-one
CAS Registry Number 32589-67-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3O2
InChI InChI=1S/C16H13N3O2/c1-12(20)18-15(13-8-4-2-5-9-13)17-19(16(18)21)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey LDNSCHYVZLUUDI-UHFFFAOYSA-N
Molecular Weight 279.299 g/mol
SMILES C1(N(C(=NN1c1ccccc1)c1ccccc1)C(=O)C)=O
SPLASH splash10-0006-9200000000-9d52730bcc8a542015a2
Source of Spectrum O-5-119-17
Synonyms 4-Ethanoyl-2,5-diphenyl-1,2,4-triazol-3-one
Wiley ID 1283000