| SpectraBase Spectrum ID |
LNDTgckX1pt |
| Name |
Phenylacetic 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 |
288.208930140 u |
| Formula |
C19H28O2 |
| InChI |
InChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-9-13-16-21-19(20)17-18-14-11-10-12-15-18/h9-15H,2-8,16-17H2,1H3/b13-9+ |
| InChIKey |
FWVZPQUCMWVYEI-UKTHLTGXSA-N |
| SMILES |
C(=O)(OC\C=C\CCCCCCCC)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920019 |
