SpectraBase Spectrum ID |
A3yXXfqKlSv |
Name |
5-Phenylvaleric acid, nonyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
304.240230268 u |
Formula |
C20H32O2 |
InChI |
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-13-18-22-20(21)17-12-11-16-19-14-9-8-10-15-19/h8-10,14-15H,2-7,11-13,16-18H2,1H3 |
InChIKey |
LDJNXWXWSPXLJO-UHFFFAOYSA-N |
Molecular Weight |
304.474 g/mol |
SMILES |
C(CCC(OCCCCCCCCC)=O)CC=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917469 |