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2-Benzyl-5-([(3-methoxyphenyl)amino]methyl)-2,3-dihydro-1H-1,2,4-triazol-3-one

View entire compound with spectra: 1 FTIR

2-Benzyl-5-([(3-methoxyphenyl)amino]methyl)-2,3-dihydro-1H-1,2,4-triazol-3-one
SpectraBase Compound ID 7x2mFxD1FCQ
InChI InChI=1S/C17H18N4O2/c1-23-15-9-5-8-14(10-15)18-11-16-19-17(22)21(20-16)12-13-6-3-2-4-7-13/h2-10,18H,11-12H2,1H3,(H,19,20,22)
InChIKey OPYXGEMNQQTAQJ-UHFFFAOYSA-N
Mol Weight 310.36 g/mol
Molecular Formula C17H18N4O2
Exact Mass 310.142976 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9O3z5GQfonK
Name 2-Benzyl-5-([(3-methoxyphenyl)amino]methyl)-2,3-dihydro-1H-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 310.142975834 u
Formula C17H18N4O2
InChI InChI=1S/C17H18N4O2/c1-23-15-9-5-8-14(10-15)18-11-16-19-17(22)21(20-16)12-13-6-3-2-4-7-13/h2-10,18H,11-12H2,1H3,(H,19,20,22)
InChIKey OPYXGEMNQQTAQJ-UHFFFAOYSA-N
SMILES COC1=CC(NCC=2NN(CC3=CC=CC=C3)C(N2)=O)=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950318