| SpectraBase Spectrum ID |
44tLaZMbkdd |
| Name |
Dimethyl ester of 2-ethyl-5-phenyl-4,5-dihydropyrrole-3,3-dicarboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
289.131408092 u |
| Formula |
C16H19NO4 |
| InChI |
InChI=1S/C16H19NO4/c1-4-13-16(14(18)20-2,15(19)21-3)10-12(17-13)11-8-6-5-7-9-11/h5-9,12H,4,10H2,1-3H3 |
| InChIKey |
WSANNSJXAXGSNY-UHFFFAOYSA-N |
| SMILES |
C1(C(=NC(C1)C1=CC=CC=C1)CC)(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961165 |
