| SpectraBase Spectrum ID |
Ba620Gl6Zk4 |
| Name |
5-Hepten-2-ol, 6-methyl-3-(phenylthio)- |
| 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/c1-11(2)9-10-14(12(3)15)16-13-7-5-4-6-8-13/h4-9,12,14-15H,10H2,1-3H3 |
| InChIKey |
QEAZQILUOSRCEN-UHFFFAOYSA-N |
| Molecular Weight |
236.373 g/mol |
| SMILES |
C(SC1=CC=CC=C1)(CC=C(C)C)C(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80394 |
