| SpectraBase Spectrum ID |
1E9w5CuZXsk |
| Name |
1-Benzylthio-3-methyl-1(Z)-buten-3-ol |
| 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/c1-12(2,13)8-9-14-10-11-6-4-3-5-7-11/h3-9,13H,10H2,1-2H3/b9-8- |
| InChIKey |
PLWXJZHANCYGQK-HJWRWDBZSA-N |
| Molecular Weight |
208.319 g/mol |
| SMILES |
C(\C=C/SCC=1C=CC=CC1)(O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930141 |
