| SpectraBase Spectrum ID |
AiPHxKYmwp8 |
| Name |
Dodecanoic acid, 2-hexen-1-yl ester |
| 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/c1-3-5-7-9-10-11-12-13-14-16-18(19)20-17-15-8-6-4-2/h8,15H,3-7,9-14,16-17H2,1-2H3/b15-8+ |
| InChIKey |
RTTISBGEPJMJAZ-OVCLIPMQSA-N |
| Molecular Weight |
282.468 g/mol |
| SMILES |
C(=O)(CCCCCCCCCCC)OC\C=C\CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977282 |
