| SpectraBase Spectrum ID |
52KCKjjeWjG |
| Name |
1-Methyl-2-(p-tolylmethylsulfanylmethyl)benzene |
| 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/c1-13-7-9-15(10-8-13)11-17-12-16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3 |
| InChIKey |
JCTKECHNFPQOTK-UHFFFAOYSA-N |
| Molecular Weight |
242.380 g/mol |
| SMILES |
C=1(C(C)=CC=CC1)CSCC=1C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816103 |
