![Dimethyl ester of (E)-[5-(dimethylamino)-3-pentenyl]propanedioic acid](/api/spectrum/DsWUdNhyFjF/structure.png?h=300&w=458 "Dimethyl ester of (E)-[5-(dimethylamino)-3-pentenyl]propanedioic acid")
| SpectraBase Compound ID | 9uH0SGUQ2NE |
|---|---|
| InChI | InChI=1S/C12H21NO4/c1-13(2)9-7-5-6-8-10(11(14)16-3)12(15)17-4/h5,7,10H,6,8-9H2,1-4H3/b7-5+ |
| InChIKey | JHDYEASMMSHEIN-FNORWQNLSA-N |
| Mol Weight | 243.3 g/mol |
| Molecular Formula | C12H21NO4 |
| Exact Mass | 243.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DsWUdNhyFjF |
|---|---|
| Name | Dimethyl ester of (E)-[5-(dimethylamino)-3-pentenyl]propanedioic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.147058156 u |
| Formula | C12H21NO4 |
| InChI | InChI=1S/C12H21NO4/c1-13(2)9-7-5-6-8-10(11(14)16-3)12(15)17-4/h5,7,10H,6,8-9H2,1-4H3/b7-5+ |
| InChIKey | JHDYEASMMSHEIN-FNORWQNLSA-N |
| Molecular Weight | 243.303 g/mol |
| SMILES | C(C(=O)OC)(C(=O)OC)CC\C=C\CN(C)C |