| SpectraBase Spectrum ID |
4OCs5Ode77O |
| Name |
Methyl-(+)-(2E,6E,10-xi)-10-hydroxy-3,7,11-trimethyl-dodeca-2,6,11-trienoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.188194694 u |
| Formula |
C16H26O3 |
| InChI |
InChI=1S/C16H26O3/c1-12(2)15(17)10-9-13(3)7-6-8-14(4)11-16(18)19-5/h7,11,15,17H,1,6,8-10H2,2-5H3/b13-7+,14-11+ |
| InChIKey |
XCDIUVKHQADBDV-FYCHQBGDSA-N |
| Molecular Weight |
266.381 g/mol |
| SMILES |
COC(=O)\C=C/(C)CC\C=C/(C)CCC(O)C(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911715 |
