| SpectraBase Spectrum ID |
WsSGZEX5Rz |
| Name |
3-Phenylpropionic acid, 3-methylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.146329882 u |
| Formula |
C14H20O2 |
| InChI |
InChI=1S/C14H20O2/c1-12(2)10-11-16-14(15)9-8-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3 |
| InChIKey |
WDHICFSUJDFSIU-UHFFFAOYSA-N |
| Molecular Weight |
220.312 g/mol |
| SMILES |
C1(=CC=CC=C1)CCC(=O)OCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965817 |
