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

*Links on SpectraBase are not permalinks.

2-[1-(4-Methylphenyl)propyl]benzenethiol

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

2-[1-(4-Methylphenyl)propyl]benzenethiol
SpectraBase Compound ID 3DFOJslc5Q9
InChI InChI=1S/C16H18S/c1-3-14(13-10-8-12(2)9-11-13)15-6-4-5-7-16(15)17/h4-11,14,17H,3H2,1-2H3
InChIKey CFQKTUSGSOZKJB-UHFFFAOYSA-N
Mol Weight 242.38 g/mol
Molecular Formula C16H18S
Exact Mass 242.112922 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 1O6eLErHvvL
Name 2-[1-(4-Methylphenyl)propyl]benzenethiol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.112921754 u
Formula C16H18S
InChI InChI=1S/C16H18S/c1-3-14(13-10-8-12(2)9-11-13)15-6-4-5-7-16(15)17/h4-11,14,17H,3H2,1-2H3
InChIKey CFQKTUSGSOZKJB-UHFFFAOYSA-N
Molecular Weight 242.380 g/mol
SMILES C=1(C(C=2C=CC(=CC2)C)CC)C(S)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951952