For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-(3,4-Dichlorophenyl)-3-(2-methylallyl)thiourea

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

1-(3,4-Dichlorophenyl)-3-(2-methylallyl)thiourea
SpectraBase Compound ID FsGR5v5g01q
InChI InChI=1S/C11H12Cl2N2S/c1-7(2)6-14-11(16)15-8-3-4-9(12)10(13)5-8/h3-5H,1,6H2,2H3,(H2,14,15,16)
InChIKey HPLGQMJJRQRAGM-UHFFFAOYSA-N
Mol Weight 275.2 g/mol
Molecular Formula C11H12Cl2N2S
Exact Mass 274.009825 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Jxx4Bouc57F
Name 1-(3,4-Dichlorophenyl)-3-(2-methylallyl)thiourea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.009824968 u
Formula C11H12Cl2N2S
InChI InChI=1S/C11H12Cl2N2S/c1-7(2)6-14-11(16)15-8-3-4-9(12)10(13)5-8/h3-5H,1,6H2,2H3,(H2,14,15,16)
InChIKey HPLGQMJJRQRAGM-UHFFFAOYSA-N
SMILES C=C(CNC(NC1=CC(=C(C=C1)Cl)Cl)=S)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900121