| SpectraBase Spectrum ID |
1muO5tDsSle |
| Name |
(2S*,3S*)-3-[(2E)-3,7-Dimethyl-2,6-octadienyl]-1,2,4-butanetriol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.188194694 u |
| Formula |
C14H26O3 |
| InChI |
InChI=1S/C14H26O3/c1-11(2)5-4-6-12(3)7-8-13(9-15)14(17)10-16/h5,7,13-17H,4,6,8-10H2,1-3H3/b12-7+/t13-,14+/m0/s1 |
| InChIKey |
FQDTVJHVHKOGIO-NAICIEFVSA-N |
| Molecular Weight |
242.359 g/mol |
| SMILES |
C(\C=C\(CCC=C(C)C)C)[C@]([C@](O)(CO)[H])(CO)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973796 |
![(2S*,3S*)-3-[(2E)-3,7-Dimethyl-2,6-octadienyl]-1,2,4-butanetriol](/api/spectrum/1muO5tDsSle/structure.png?h=300&w=458 "(2S*,3S*)-3-[(2E)-3,7-Dimethyl-2,6-octadienyl]-1,2,4-butanetriol")
