| SpectraBase Spectrum ID |
Br03aUmX6Fj |
| Name |
Methyl 8-heptadecenoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.255880333 u |
| Formula |
C18H34O2 |
| InChI |
InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h10-11H,3-9,12-17H2,1-2H3/b11-10- |
| InChIKey |
JCYKUMGSYHBRBQ-KHPPLWFESA-N |
| Molecular Weight |
282.468 g/mol |
| SMILES |
C(CCCC(=O)OC)CC\C=C/CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96287 |
