| SpectraBase Spectrum ID |
Bu9Ercm01k1 |
| Name |
2-Hexadecene-1-thiol, 3,7,11,15-tetramethyl-, [R-[R*,R*-(E)]]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.285072462 u |
| Formula |
C20H40S |
| InChI |
InChI=1S/C20H40S/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+ |
| InChIKey |
WGQGCMYAJSUBQW-HMMYKYKNSA-N |
| SMILES |
C(S)\C=C/(C)CCCC(C)CCCC(CCCC(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904467 |
![2-Hexadecene-1-thiol, 3,7,11,15-tetramethyl-, [R-[R*,R*-(E)]]-](/api/spectrum/Bu9Ercm01k1/structure.png?h=300&w=458 "2-Hexadecene-1-thiol, 3,7,11,15-tetramethyl-, [R-[R*,R*-(E)]]-")
