| SpectraBase Spectrum ID |
8Y1EDCUqWvD |
| Name |
4-Hydroxy-5-oxo-1-(1-phenylbutyl)-3-pyrroline-3-carboxylic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.147058156 u |
| Formula |
C17H21NO4 |
| InChI |
InChI=1S/C17H21NO4/c1-3-8-14(12-9-6-5-7-10-12)18-11-13(15(19)16(18)20)17(21)22-4-2/h5-7,9-10,14,19H,3-4,8,11H2,1-2H3 |
| InChIKey |
JGGWOWZSXIBPOJ-UHFFFAOYSA-N |
| SMILES |
OC1=C(CN(C1=O)C(C1=CC=CC=C1)CCC)C(OCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.906236 |
