| SpectraBase Spectrum ID |
JEsPgf4fsAl |
| Name |
1-Benzyl-2,4-diketo-3-[2-keto-2-(4-methoxyphenyl)ethyl]pyrrolidine-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 |
409.152537459 u |
| Formula |
C23H23NO6 |
| InChI |
InChI=1S/C23H23NO6/c1-3-30-22(28)23(13-19(25)17-9-11-18(29-2)12-10-17)20(26)15-24(21(23)27)14-16-7-5-4-6-8-16/h4-12H,3,13-15H2,1-2H3 |
| InChIKey |
DERLDYCIKZPHPP-UHFFFAOYSA-N |
| Molecular Weight |
409.438 g/mol |
| SMILES |
C1(C(N(CC=2C=CC=CC2)CC1=O)=O)(CC(C1=CC=C(C=C1)OC)=O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855459 |
![1-Benzyl-2,4-diketo-3-[2-keto-2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid ethyl ester](/api/spectrum/JEsPgf4fsAl/structure.png?h=300&w=458 "1-Benzyl-2,4-diketo-3-[2-keto-2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid ethyl ester")
