| SpectraBase Spectrum ID |
IuXdFmFUmqP |
| Name |
5-Phenylvaleric acid, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.381080848 u |
| Formula |
C29H50O2 |
| InChI |
InChI=1S/C29H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-27-31-29(30)26-21-20-25-28-23-18-17-19-24-28/h17-19,23-24H,2-16,20-22,25-27H2,1H3 |
| InChIKey |
DVLVBBBQVOVUQF-UHFFFAOYSA-N |
| Molecular Weight |
430.717 g/mol |
| SMILES |
C(CCC(OCCCCCCCCCCCCCCCCCC)=O)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947659 |
