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N-(4-Chlorophenyl)benzenecarbothioamide

View entire compound with spectra: 1 NMR, and 1 FTIR

N-(4-Chlorophenyl)benzenecarbothioamide
SpectraBase Compound ID 91nDti4pKU7
InChI InChI=1S/C13H10ClNS/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h1-9H,(H,15,16)
InChIKey QTQYTNZDYLXLPM-UHFFFAOYSA-N
Mol Weight 247.74 g/mol
Molecular Formula C13H10ClNS
Exact Mass 247.022248 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FPdSkdIpBKq
Name N-(4-Chlorophenyl)benzenecarbothioamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.022248200 u
Formula C13H10ClNS
InChI InChI=1S/C13H10ClNS/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h1-9H,(H,15,16)
InChIKey QTQYTNZDYLXLPM-UHFFFAOYSA-N
Molecular Weight 247.743 g/mol
SMILES C(=S)(NC1=CC=C(C=C1)Cl)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95567