| SpectraBase Spectrum ID |
7xM4VE5SR2y |
| Name |
(2E)-1-Methylthio-3,7,11,15-tetramethyl-2-hexadecene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.300722526 u |
| Formula |
C21H42S |
| InChI |
InChI=1S/C21H42S/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-22-6/h16,18-20H,7-15,17H2,1-6H3/b21-16+ |
| InChIKey |
DXJSZZYDGOJJJN-LTGZKZEYSA-N |
| Molecular Weight |
326.627 g/mol |
| SMILES |
CC(CCCC(C)CCCC(C)CCC\C(C)=C\CSC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923966 |
