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1-(4-Chlorobenzyl)-5-methyl-3-phenyl-1,2,4-triazol-4-oxide

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

1-(4-Chlorobenzyl)-5-methyl-3-phenyl-1,2,4-triazol-4-oxide
SpectraBase Compound ID HROxsvAfiab
InChI InChI=1S/C16H14ClN3O/c1-12-19(11-13-7-9-15(17)10-8-13)18-16(20(12)21)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKey LDEHEOFXCFCFFO-UHFFFAOYSA-N
Mol Weight 299.76 g/mol
Molecular Formula C16H14ClN3O
Exact Mass 299.08254 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ekq278uGrDe
Name 1-(4-Chlorobenzyl)-5-methyl-3-phenyl-1,2,4-triazol-4-oxide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.082539782 u
Formula C16H14ClN3O
InChI InChI=1S/C16H14ClN3O/c1-12-19(11-13-7-9-15(17)10-8-13)18-16(20(12)21)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKey LDEHEOFXCFCFFO-UHFFFAOYSA-N
SMILES C=1(N(=C(N(N1)CC1=CC=C(C=C1)Cl)C)=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929297