| SpectraBase Spectrum ID |
6vjyE1QGUqf |
| Name |
3-Phenylpropionic acid, 3-methylbut-2-yl 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/c1-11(2)12(3)16-14(15)10-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3 |
| InChIKey |
TVFXOSYAUARACE-UHFFFAOYSA-N |
| Molecular Weight |
220.312 g/mol |
| SMILES |
C1(=CC=CC=C1)CCC(=O)OC(C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967215 |
