SpectraBase Spectrum ID |
2GlUAiP8I52 |
Name |
2-Propenoic acid, 2-methyl-, 2-[(1,3-dioxobutyl)methylamino]ethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
227.115758027 u |
Formula |
C11H17NO4 |
InChI |
InChI=1S/C11H17NO4/c1-8(2)11(15)16-6-5-12(4)10(14)7-9(3)13/h1,5-7H2,2-4H3 |
InChIKey |
RFTMUDPWBGJDBV-UHFFFAOYSA-N |
Molecular Weight |
227.260 g/mol |
SMILES |
CN(CCOC(=O)C(C)=C)C(=O)CC(C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867668 |