| SpectraBase Spectrum ID |
8QcfgF1kxTc |
| Name |
3-Phenylpropionic acid, 2-diethylaminoethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.172878983 u |
| Formula |
C15H23NO2 |
| InChI |
InChI=1S/C15H23NO2/c1-3-16(4-2)12-13-18-15(17)11-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3 |
| InChIKey |
AOEZSVRWNCPDBX-UHFFFAOYSA-N |
| Molecular Weight |
249.354 g/mol |
| SMILES |
C(CC1=CC=CC=C1)C(=O)OCCN(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958984 |
