![[3-(Dimethylamino)propyl]malonic acid, diethyl ester](/api/spectrum/4AnLmcX8Cel/structure.png?h=300&w=458 "[3-(Dimethylamino)propyl]malonic acid, diethyl ester")
| SpectraBase Compound ID | Hy9RlhL4u6Z |
|---|---|
| InChI | InChI=1S/C12H23NO4/c1-5-16-11(14)10(12(15)17-6-2)8-7-9-13(3)4/h10H,5-9H2,1-4H3 |
| InChIKey | HPJWCZSMLHGECP-UHFFFAOYSA-N |
| Mol Weight | 245.32 g/mol |
| Molecular Formula | C12H23NO4 |
| Exact Mass | 245.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4AnLmcX8Cel |
|---|---|
| Name | [3-(Dimethylamino)propyl]malonic acid, diethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.162708221 u |
| Formula | C12H23NO4 |
| InChI | InChI=1S/C12H23NO4/c1-5-16-11(14)10(12(15)17-6-2)8-7-9-13(3)4/h10H,5-9H2,1-4H3 |
| InChIKey | HPJWCZSMLHGECP-UHFFFAOYSA-N |
| Molecular Weight | 245.319 g/mol |
| SMILES | CCOC(C(CCCN(C)C)C(=O)OCC)=O |