| SpectraBase Spectrum ID |
7n4Jo9syj9z |
| Name |
5-Phenylvaleric acid, decyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.255880333 u |
| Formula |
C21H34O2 |
| InChI |
InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-14-19-23-21(22)18-13-12-17-20-15-10-9-11-16-20/h9-11,15-16H,2-8,12-14,17-19H2,1H3 |
| InChIKey |
YBLXZQYXKMJFIF-UHFFFAOYSA-N |
| Molecular Weight |
318.501 g/mol |
| SMILES |
C(CCC(OCCCCCCCCCC)=O)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955388 |
