| SpectraBase Spectrum ID |
6XGcl7rnAl3 |
| Name |
Pentyl palmitoleate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.302830526 u |
| Formula |
C21H40O2 |
| InChI |
InChI=1S/C21H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-21(22)23-20-18-6-4-2/h10-11H,3-9,12-20H2,1-2H3/b11-10- |
| InChIKey |
GKIGSEHOTRQBEV-KHPPLWFESA-N |
| Molecular Weight |
324.549 g/mol |
| SMILES |
C(CCCCCCC\C=C/CCCCCC)(=O)OCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952719 |
