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N-(2-Cyanophenyl)-N'-(2-chlorophenyl)thiourea

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

N-(2-Cyanophenyl)-N'-(2-chlorophenyl)thiourea
SpectraBase Compound ID EPO0vt0nTh
InChI InChI=1S/C14H10ClN3S/c15-11-6-2-4-8-13(11)18-14(19)17-12-7-3-1-5-10(12)9-16/h1-8H,(H2,17,18,19)
InChIKey XIELBKDRPADWNU-UHFFFAOYSA-N
Mol Weight 287.77 g/mol
Molecular Formula C14H10ClN3S
Exact Mass 287.028396 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IjS2qorbF0x
Name N-(2-Cyanophenyl)-N'-(2-chlorophenyl)thiourea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 287.028396208 u
Formula C14H10ClN3S
InChI InChI=1S/C14H10ClN3S/c15-11-6-2-4-8-13(11)18-14(19)17-12-7-3-1-5-10(12)9-16/h1-8H,(H2,17,18,19)
InChIKey XIELBKDRPADWNU-UHFFFAOYSA-N
Molecular Weight 287.768 g/mol
SMILES C(NC=1C(=CC=CC1)C#N)(=S)NC=1C(=CC=CC1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.806112