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2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione

View entire compound with spectra: 1 NMR, and 1 FTIR

2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID HwSoJKikPbd
InChI InChI=1S/C15H13N3OS/c20-15-17-16-14(11-19-13-9-5-2-6-10-13)18(15)12-7-3-1-4-8-12/h1-10H,11H2,(H,17,20)
InChIKey CQOIKLYYYATDDP-UHFFFAOYSA-N
Mol Weight 283.35 g/mol
Molecular Formula C15H13N3OS
Exact Mass 283.077933 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ktHFxs0sWI
Name 2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 283.077933224 u
Formula C15H13N3OS
InChI InChI=1S/C15H13N3OS/c20-15-17-16-14(11-19-13-9-5-2-6-10-13)18(15)12-7-3-1-4-8-12/h1-10H,11H2,(H,17,20)
InChIKey CQOIKLYYYATDDP-UHFFFAOYSA-N
SMILES C1(=S)N(C(=NN1)COC1=CC=CC=C1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915413