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2-Methyl-2-phenyl-s-[1,3,4]triazolinodine-5-thione

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

2-Methyl-2-phenyl-s-[1,3,4]triazolinodine-5-thione
SpectraBase Compound ID KLS0j5OOehW
InChI InChI=1S/C9H11N3S/c1-9(10-8(13)11-12-9)7-5-3-2-4-6-7/h2-6,12H,1H3,(H2,10,11,13)
InChIKey BLNNEZNPQCWDDY-UHFFFAOYSA-N
Mol Weight 193.27 g/mol
Molecular Formula C9H11N3S
Exact Mass 193.067369 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BpnoggLjG9T
Name 2-Methyl-2-phenyl-S-[1,3,4]triazolinodine-5-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 193.067368540 u
Formula C9H11N3S
InChI InChI=1S/C9H11N3S/c1-9(10-8(13)11-12-9)7-5-3-2-4-6-7/h2-6,12H,1H3,(H2,10,11,13)
InChIKey BLNNEZNPQCWDDY-UHFFFAOYSA-N
Molecular Weight 193.268 g/mol
SMILES C1(NC(NN1)=S)(C1=CC=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92087