SpectraBase Spectrum ID |
FaudYKSsNhe |
Name |
4-Methylbenzyl mercaptan, S-(2-methylpropionyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
208.092186308 u |
Formula |
C12H16OS |
InChI |
InChI=1S/C12H16OS/c1-9(2)12(13)14-8-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3 |
InChIKey |
ZUKJDPRXSIFYCI-UHFFFAOYSA-N |
Molecular Weight |
208.319 g/mol |
SMILES |
C(SC(C(C)C)=O)C1=CC=C(C=C1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936216 |