| SpectraBase Spectrum ID |
IeUJNzwOTTV |
| Name |
1-Benzyl-4-(3-methoxycarbonylbenzyl)-5,5-dimethyl-2-oxo-2,5-dihydro-1H-pyrrole-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 |
421.188922968 u |
| Formula |
C25H27NO5 |
| InChI |
InChI=1S/C25H27NO5/c1-5-31-24(29)21-20(15-18-12-9-13-19(14-18)23(28)30-4)25(2,3)26(22(21)27)16-17-10-7-6-8-11-17/h6-14H,5,15-16H2,1-4H3 |
| InChIKey |
LVXSBVYPPWDBBU-UHFFFAOYSA-N |
| Molecular Weight |
421.493 g/mol |
| SMILES |
C1(N(C(C(=C1C(=O)OCC)CC=1C=C(C=CC1)C(=O)OC)(C)C)CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90062 |
