| SpectraBase Spectrum ID |
G5rN0XSvjLA |
| Name |
(E)-4-[[(E)-4-ethoxy-4-keto-but-2-enyl]amino]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 |
241.131408092 u |
| Formula |
C12H19NO4 |
| InChI |
InChI=1S/C12H19NO4/c1-3-16-11(14)7-5-9-13-10-6-8-12(15)17-4-2/h5-8,13H,3-4,9-10H2,1-2H3/b7-5+,8-6+ |
| InChIKey |
LXXFHFUBZCVNOT-KQQUZDAGSA-N |
| Molecular Weight |
241.287 g/mol |
| SMILES |
C(\C=C\CNC\C=C\C(=O)OCC)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876413 |
![(E)-4-[[(E)-4-ethoxy-4-keto-but-2-enyl]amino]but-2-enoic acid ethyl ester](/api/spectrum/G5rN0XSvjLA/structure.png?h=300&w=458 "(E)-4-[[(E)-4-ethoxy-4-keto-but-2-enyl]amino]but-2-enoic acid ethyl ester")
