![2-Acetamido-2-[(Z)-4-hydroxybut-2-enyl]malonic acid diethyl ester](/api/spectrum/JeDWvbR0Jd4/structure.png?h=300&w=458 "2-Acetamido-2-[(Z)-4-hydroxybut-2-enyl]malonic acid diethyl ester")
| SpectraBase Compound ID | jNloOx0JHz |
|---|---|
| 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 |
| Mol Weight | 287.31 g/mol |
| Molecular Formula | C13H21NO6 |
| Exact Mass | 287.136887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JeDWvbR0Jd4 |
|---|---|
| Name | 2-Acetamido-2-[(Z)-4-hydroxybut-2-enyl]malonic acid diethyl ester |
| Comments | Computed using HOSE algorithm |
| 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 |