| SpectraBase Spectrum ID |
4d4PIG6WxgB |
| Name |
(7S*,8R*)-8-Ethenyl-8,12,16-trimethyl-11(E),15-heptadecadien-7-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.307915907 u |
| Formula |
C22H40O |
| InChI |
InChI=1S/C22H40O/c1-7-9-10-11-17-21(23)22(6,8-2)18-13-16-20(5)15-12-14-19(3)4/h8,14,16,21,23H,2,7,9-13,15,17-18H2,1,3-6H3/b20-16+/t21-,22-/m0/s1 |
| InChIKey |
PWRXHNAAEGOTJI-WPANIXQDSA-N |
| Molecular Weight |
320.561 g/mol |
| SMILES |
[C@](C=C)([C@@](O)(CCCCCC)[H])(CC\C=C\(CCC=C(C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941211 |
