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3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-phenyl-5-(phenylamino)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-phenyl-5-(phenylamino)-
SpectraBase Compound ID 63g8djJZNkm
InChI InChI=1S/C14H12N4S/c19-14-17-16-13(15-11-7-3-1-4-8-11)18(14)12-9-5-2-6-10-12/h1-10H,(H,15,16)(H,17,19)
InChIKey ADVANMXLTWBUFC-UHFFFAOYSA-N
Mol Weight 268.34 g/mol
Molecular Formula C14H12N4S
Exact Mass 268.078268 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C5gQ7HrZjRB
Name 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-phenyl-5-(phenylamino)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.078267576 u
Formula C14H12N4S
InChI InChI=1S/C14H12N4S/c19-14-17-16-13(15-11-7-3-1-4-8-11)18(14)12-9-5-2-6-10-12/h1-10H,(H,15,16)(H,17,19)
InChIKey ADVANMXLTWBUFC-UHFFFAOYSA-N
Molecular Weight 268.338 g/mol
SMILES C=1(N(C(=S)NN1)C1=CC=CC=C1)NC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.909906