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N-(2-methoxyphenyl)benzenecarbothioamide

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

N-(2-methoxyphenyl)benzenecarbothioamide
SpectraBase Compound ID ArrxaSKDdKl
InChI InChI=1S/C14H13NOS/c1-16-13-10-6-5-9-12(13)15-14(17)11-7-3-2-4-8-11/h2-10H,1H3,(H,15,17)
InChIKey RUHLUUNUEACYMX-UHFFFAOYSA-N
Mol Weight 243.32 g/mol
Molecular Formula C14H13NOS
Exact Mass 243.071785 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BPnWmpbIvnL
Name N-(2-Methoxyphenyl)benzenecarbothioamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 243.071785216 u
Formula C14H13NOS
InChI InChI=1S/C14H13NOS/c1-16-13-10-6-5-9-12(13)15-14(17)11-7-3-2-4-8-11/h2-10H,1H3,(H,15,17)
InChIKey RUHLUUNUEACYMX-UHFFFAOYSA-N
Molecular Weight 243.324 g/mol
SMILES COC1=CC=CC=C1NC(C1=CC=CC=C1)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.801832