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N-Allyl-N'-(3-chlorophenyl)thiourea

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

N-Allyl-N'-(3-chlorophenyl)thiourea
SpectraBase Compound ID IZ6G68McHSH
InChI InChI=1S/C10H11ClN2S/c1-2-6-12-10(14)13-9-5-3-4-8(11)7-9/h2-5,7H,1,6H2,(H2,12,13,14)
InChIKey PWMJPURKWVVDJH-UHFFFAOYSA-N
Mol Weight 226.72 g/mol
Molecular Formula C10H11ClN2S
Exact Mass 226.033147 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6DixQs7Z8N4
Name N-Allyl-N'-(3-chlorophenyl)thiourea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.033147236 u
Formula C10H11ClN2S
InChI InChI=1S/C10H11ClN2S/c1-2-6-12-10(14)13-9-5-3-4-8(11)7-9/h2-5,7H,1,6H2,(H2,12,13,14)
InChIKey PWMJPURKWVVDJH-UHFFFAOYSA-N
Molecular Weight 226.725 g/mol
SMILES C(=S)(NCC=C)NC1=CC(=CC=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.822714