| SpectraBase Spectrum ID |
Gh7c0Kr9hIm |
| Name |
5-Phenylvaleric acid, undec-2-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.255880333 u |
| Formula |
C22H34O2 |
| InChI |
InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-15-20-24-22(23)19-14-13-18-21-16-11-10-12-17-21/h9-12,15-17H,2-8,13-14,18-20H2,1H3/b15-9+ |
| InChIKey |
FYBAHVUZFHGWCA-OQLLNIDSSA-N |
| Molecular Weight |
330.512 g/mol |
| SMILES |
C(CCC(OC\C=C\CCCCCCCC)=O)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980261 |
