| SpectraBase Spectrum ID |
H3UXNksKxor |
| Name |
3-Phenylpropionic acid, 4-methoxy-2-methylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.156894565 u |
| Formula |
C15H22O3 |
| InChI |
InChI=1S/C15H22O3/c1-13(10-11-17-2)12-18-15(16)9-8-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3 |
| InChIKey |
WPOYFKUIUGDUNE-UHFFFAOYSA-N |
| Molecular Weight |
250.338 g/mol |
| SMILES |
C1(=CC=CC=C1)CCC(=O)OCC(CCOC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.989364 |
