| SpectraBase Spectrum ID |
LD8dbmIHd2i |
| Name |
5-Phenylvaleric acid, tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.318480590 u |
| Formula |
C25H42O2 |
| InChI |
InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-23-27-25(26)22-17-16-21-24-19-14-13-15-20-24/h13-15,19-20H,2-12,16-18,21-23H2,1H3 |
| InChIKey |
USGFNSBZBPBSML-UHFFFAOYSA-N |
| Molecular Weight |
374.609 g/mol |
| SMILES |
C(CCC(OCCCCCCCCCCCCCC)=O)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946482 |
