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N-benzylbenzenecarbothioamide

View entire compound with spectra: 1 NMR, 1 FTIR, and 6 MS (GC)

N-benzylbenzenecarbothioamide
SpectraBase Compound ID 3ZAgjmCUi1R
InChI InChI=1S/C14H13NS/c16-14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,15,16)
InChIKey GMOICCILTLBRTM-UHFFFAOYSA-N
Mol Weight 227.32 g/mol
Molecular Formula C14H13NS
Exact Mass 227.076871 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IQNopexcV8h
Name N-Benzylbenzenecarbothioamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.076870597 u
Formula C14H13NS
InChI InChI=1S/C14H13NS/c16-14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,15,16)
InChIKey GMOICCILTLBRTM-UHFFFAOYSA-N
Molecular Weight 227.325 g/mol
SMILES C(=S)(NCC1=CC=CC=C1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.985763