| SpectraBase Spectrum ID |
9Zjd3EWCvLb |
| Name |
(Z)-Icos-11-en-1-yl palmitate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
534.537581492 u |
| Formula |
C36H70O2 |
| InChI |
InChI=1S/C36H70O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h17-18H,3-16,19-35H2,1-2H3/b18-17- |
| InChIKey |
RPHVJEYIXHNDEX-ZCXUNETKSA-N |
| Molecular Weight |
534.954 g/mol |
| SMILES |
C(CCCCCCCCCCCCCCC)(=O)OCCCCCCCCCC\C=C/CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805937 |
