| SpectraBase Spectrum ID |
5wyPO87tbN |
| Name |
(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trien-1-yl stearate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
488.459331170 u |
| Formula |
C33H60O2 |
| InChI |
InChI=1S/C33H60O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-33(34)35-29-28-32(5)26-22-25-31(4)24-21-23-30(2)3/h23,25,28H,6-22,24,26-27,29H2,1-5H3/b31-25+,32-28+ |
| InChIKey |
YQPQEVWUUVTRQA-XPYMXISMSA-N |
| Molecular Weight |
488.841 g/mol |
| SMILES |
C(CCCCCCCCCCCCCCCCC)(=O)OC\C=C\(CC\C=C\(CCC=C(C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943517 |
