| SpectraBase Spectrum ID |
9oqYofXO2fC |
| Name |
Oxiranemethanol, 3-[9-(acetyloxy)-3,7-dimethyl-3,7-nonadienyl]-2-methyl-, [2S-[2.alpha.,3.beta.(3E,7E)]]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.198759378 u |
| Formula |
C17H28O4 |
| InChI |
InChI=1S/C17H28O4/c1-13(8-9-16-17(4,12-18)21-16)6-5-7-14(2)10-11-20-15(3)19/h6,10,16,18H,5,7-9,11-12H2,1-4H3/b13-6+,14-10+/t16-,17-/m0/s1 |
| InChIKey |
YJNFRKKGRSTGPV-MMROGUSUSA-N |
| Molecular Weight |
296.407 g/mol |
| SMILES |
[C@@]1(O[C@]1(CC\C(=C\CC\C(=C\COC(=O)C)C)C)[H])(CO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956873 |
![Oxiranemethanol, 3-[9-(acetyloxy)-3,7-dimethyl-3,7-nonadienyl]-2-methyl-, [2S-[2.alpha.,3.beta.(3E,7E)]]-](/api/spectrum/9oqYofXO2fC/structure.png?h=300&w=458 "Oxiranemethanol, 3-[9-(acetyloxy)-3,7-dimethyl-3,7-nonadienyl]-2-methyl-, [2S-[2.alpha.,3.beta.(3E,7E)]]-")
