| SpectraBase Spectrum ID |
6o6CIPoeDIQ |
| Name |
2-(1-Crotonyl-5-oxopyrrolidin-2-yl)malonic acid, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.136887394 u |
| Formula |
C15H21NO6 |
| InChI |
InChI=1S/C15H21NO6/c1-4-7-11(17)16-10(8-9-12(16)18)13(14(19)21-5-2)15(20)22-6-3/h4,7,10,13H,5-6,8-9H2,1-3H3/b7-4+ |
| InChIKey |
XMLHKMMVIYHYHJ-QPJJXVBHSA-N |
| Molecular Weight |
311.334 g/mol |
| SMILES |
C1(N(C(C(C(=O)OCC)C(=O)OCC)CC1)C(\C=C\C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987084 |
