| SpectraBase Spectrum ID |
Ezat35GieOb |
| Name |
1,5-Hexadien-3-ol, 3-methyl-6-(methylthio)-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E,E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.186086695 u |
| Formula |
C17H28OS |
| InChI |
InChI=1S/C17H28OS/c1-14-8-6-10-16(2,3)15(14)9-12-17(4,18)11-7-13-19-5/h7,9,12-13,18H,6,8,10-11H2,1-5H3/b12-9+,13-7+ |
| InChIKey |
XSOYMMDNOKXSOA-VISQASBUSA-N |
| Molecular Weight |
280.470 g/mol |
| SMILES |
C1C(C)=C(\C=C\C(C)(C\C=C\SC)O)C(CC1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967949 |
