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N-(4-methylphenyl)-2-pyridinecarbothioamide

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

N-(4-methylphenyl)-2-pyridinecarbothioamide
SpectraBase Compound ID DUAmZGJr6lf
InChI InChI=1S/C13H12N2S/c1-10-5-7-11(8-6-10)15-13(16)12-4-2-3-9-14-12/h2-9H,1H3,(H,15,16)
InChIKey HWHBUFUUNCGXAY-UHFFFAOYSA-N
Mol Weight 228.31 g/mol
Molecular Formula C13H12N2S
Exact Mass 228.07212 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hce2dR6KH3M
Name N-(4-Methylphenyl)-2-pyridinecarbothioamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.072119568 u
Formula C13H12N2S
InChI InChI=1S/C13H12N2S/c1-10-5-7-11(8-6-10)15-13(16)12-4-2-3-9-14-12/h2-9H,1H3,(H,15,16)
InChIKey HWHBUFUUNCGXAY-UHFFFAOYSA-N
Molecular Weight 228.313 g/mol
SMILES C(NC1=CC=C(C=C1)C)(=S)C1=NC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904598