| SpectraBase Spectrum ID |
9lKjgQEsEEp |
| Name |
2-Acetamido-2-[(Z)-4-hydroxybut-2-enyl]malonic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.136887394 u |
| Formula |
C13H21NO6 |
| InChI |
InChI=1S/C13H21NO6/c1-4-19-11(17)13(14-10(3)16,8-6-7-9-15)12(18)20-5-2/h6-7,15H,4-5,8-9H2,1-3H3,(H,14,16)/b7-6- |
| InChIKey |
UCPMZAREKBFSMN-SREVYHEPSA-N |
| SMILES |
C(C(=O)OCC)(C(=O)OCC)(NC(=O)C)C\C=C/CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970644 |
![2-Acetamido-2-[(Z)-4-hydroxybut-2-enyl]malonic acid diethyl ester](/api/spectrum/9lKjgQEsEEp/structure.png?h=300&w=458 "2-Acetamido-2-[(Z)-4-hydroxybut-2-enyl]malonic acid diethyl ester")
