| SpectraBase Spectrum ID |
AlcXoYFFJdB |
| Name |
1,2-Pyrrolidinediacetic acid, .alpha.2-methylene-5-oxo-, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.126322711 u |
| Formula |
C13H19NO5 |
| InChI |
InChI=1S/C13H19NO5/c1-4-18-12(16)8-14-10(6-7-11(14)15)9(3)13(17)19-5-2/h10H,3-8H2,1-2H3 |
| InChIKey |
CTLQOEYBGXVSMI-UHFFFAOYSA-N |
| Molecular Weight |
269.297 g/mol |
| SMILES |
C1(N(C(CC1)=O)CC(=O)OCC)C(C(=O)OCC)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867289 |
