| SpectraBase Spectrum ID |
KMNaEKLx9hd |
| Name |
2,4,6-Trimethylbenzyl mercaptan, S-(2-methylpropionyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.123486437 u |
| Formula |
C14H20OS |
| InChI |
InChI=1S/C14H20OS/c1-9(2)14(15)16-8-13-11(4)6-10(3)7-12(13)5/h6-7,9H,8H2,1-5H3 |
| InChIKey |
GMOUJDNAUBYCDK-UHFFFAOYSA-N |
| Molecular Weight |
236.373 g/mol |
| SMILES |
C(SC(C(C)C)=O)C1=C(C=C(C=C1C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842312 |
