| SpectraBase Spectrum ID |
1MGGGbKkvcO |
| Name |
1-(3-oxo-3-Phenyl-propionyl)-pyrrolidin-3,4-dicarboxylic acid, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.121237330 u |
| Formula |
C17H19NO6 |
| InChI |
InChI=1S/C17H19NO6/c1-23-16(21)12-9-18(10-13(12)17(22)24-2)15(20)8-14(19)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3 |
| InChIKey |
BJWXDPZFCDFEIW-UHFFFAOYSA-N |
| Molecular Weight |
333.340 g/mol |
| SMILES |
C1N(CC(C1C(OC)=O)C(OC)=O)C(=O)CC(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956471 |
