For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

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

5-Methyl-2,4-diphenyl-1,2,4-triazol-3-one
SpectraBase Compound ID Ce7JgwqKvys
InChI InChI=1S/C15H13N3O/c1-12-16-18(14-10-6-3-7-11-14)15(19)17(12)13-8-4-2-5-9-13/h2-11H,1H3
InChIKey JCJVMCXFZOETTE-UHFFFAOYSA-N
Mol Weight 251.29 g/mol
Molecular Formula C15H13N3O
Exact Mass 251.105862 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3Nmyz8chmNP
Name 5-Methyl-2,4-diphenyl-1,2,4-triazol-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.105862050 u
Formula C15H13N3O
InChI InChI=1S/C15H13N3O/c1-12-16-18(14-10-6-3-7-11-14)15(19)17(12)13-8-4-2-5-9-13/h2-11H,1H3
InChIKey JCJVMCXFZOETTE-UHFFFAOYSA-N
Molecular Weight 251.289 g/mol
SMILES C1(N(C(C)=NN1C1=CC=CC=C1)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.845388