| SpectraBase Spectrum ID |
Kog0bleHS4s |
| Name |
3-Phenylpropionic acid, undec-2-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.224580204 u |
| Formula |
C20H30O2 |
| InChI |
InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-13-18-22-20(21)17-16-19-14-11-10-12-15-19/h9-15H,2-8,16-18H2,1H3/b13-9+ |
| InChIKey |
PPSMSYBRCIUADP-UKTHLTGXSA-N |
| SMILES |
C1=CC=CC(=C1)CCC(=O)OC\C=C\CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970427 |
