| SpectraBase Spectrum ID |
1OhNHXhp5zC |
| Name |
3-(Methoxycarbonylmethylamino)but-2-enoic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
201.100107963 u |
| Formula |
C9H15NO4 |
| InChI |
InChI=1S/C9H15NO4/c1-4-14-8(11)5-7(2)10-6-9(12)13-3/h5,10H,4,6H2,1-3H3/b7-5+ |
| InChIKey |
DGLIIBYZQLMIIO-FNORWQNLSA-N |
| Molecular Weight |
201.222 g/mol |
| SMILES |
C(=O)(CN\C(=C\C(OCC)=O)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.811378 |
