| SpectraBase Spectrum ID |
BuBVm7uCyXT |
| Name |
(9Z,12Z,15Z)-(E)-3,7-Dimethylocta-2,6-dien-1-yl octadeca-9,12,15-trienoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.349780719 u |
| Formula |
C28H46O2 |
| InChI |
InChI=1S/C28H46O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(29)30-25-24-27(4)22-20-21-26(2)3/h6-7,9-10,12-13,21,24H,5,8,11,14-20,22-23,25H2,1-4H3/b7-6-,10-9-,13-12-,27-24+ |
| InChIKey |
XGCMITBQDORUDF-ZKYCGLNMSA-N |
| Molecular Weight |
414.674 g/mol |
| SMILES |
C(CCCCCCC\C=C/C\C=C/C\C=C/CC)(=O)OC\C=C\(CCC=C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959514 |
