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1-(4-Ethylphenyl)-3-(2-methylallyl)thiourea

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

1-(4-Ethylphenyl)-3-(2-methylallyl)thiourea
SpectraBase Compound ID 1UosuggqpXH
InChI InChI=1S/C13H18N2S/c1-4-11-5-7-12(8-6-11)15-13(16)14-9-10(2)3/h5-8H,2,4,9H2,1,3H3,(H2,14,15,16)
InChIKey WJIYAGBQVCBLNS-UHFFFAOYSA-N
Mol Weight 234.36 g/mol
Molecular Formula C13H18N2S
Exact Mass 234.11907 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JU2Berpuwby
Name 1-(4-Ethylphenyl)-3-(2-methylallyl)thiourea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.119069762 u
Formula C13H18N2S
InChI InChI=1S/C13H18N2S/c1-4-11-5-7-12(8-6-11)15-13(16)14-9-10(2)3/h5-8H,2,4,9H2,1,3H3,(H2,14,15,16)
InChIKey WJIYAGBQVCBLNS-UHFFFAOYSA-N
Molecular Weight 234.361 g/mol
SMILES C=C(CNC(NC1=CC=C(C=C1)CC)=S)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957832