| SpectraBase Spectrum ID |
6RE9vdNyBwi |
| Name |
(E)-2-Cyclohexyl-3-(phenylthio)-2-octene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.206822140 u |
| Formula |
C20H30S |
| InChI |
InChI=1S/C20H30S/c1-3-4-7-16-20(21-19-14-10-6-11-15-19)17(2)18-12-8-5-9-13-18/h6,10-11,14-15,18H,3-5,7-9,12-13,16H2,1-2H3/b20-17+ |
| InChIKey |
WDXPVPVQZYFNFG-LVZFUZTISA-N |
| SMILES |
C\C(=C\(CCCCC)SC=1C=CC=CC1)C1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817577 |
