| SpectraBase Spectrum ID |
DejuJ4iQpLI |
| Name |
1-Methyl-2-[(methylthio)-phenyl-methyl]benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.097271689 u |
| Formula |
C15H16S |
| InChI |
InChI=1S/C15H16S/c1-12-8-6-7-11-14(12)15(16-2)13-9-4-3-5-10-13/h3-11,15H,1-2H3 |
| InChIKey |
KZYOYJGWFYCNKQ-UHFFFAOYSA-N |
| Molecular Weight |
228.353 g/mol |
| SMILES |
C(SC)(C=1C(=CC=CC1)C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899649 |
![1-Methyl-2-[(methylthio)-phenyl-methyl]benzene](/api/spectrum/DejuJ4iQpLI/structure.png?h=300&w=458 "1-Methyl-2-[(methylthio)-phenyl-methyl]benzene")
