![{[3,4-(Methylenedioxy)anilino]methylene}malonic acid, diethyl ester](/api/spectrum/4Mct1Wvgh6H/structure.png?h=300&w=458 "{[3,4-(Methylenedioxy)anilino]methylene}malonic acid, diethyl ester")
| SpectraBase Compound ID | 6MqWojfOmaA |
|---|---|
| InChI | InChI=1S/C15H17NO6/c1-3-19-14(17)11(15(18)20-4-2)8-16-10-5-6-12-13(7-10)22-9-21-12/h5-8,16H,3-4,9H2,1-2H3 |
| InChIKey | XQBHPGINZRUJMP-UHFFFAOYSA-N |
| Mol Weight | 307.3 g/mol |
| Molecular Formula | C15H17NO6 |
| Exact Mass | 307.105587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Mct1Wvgh6H |
|---|---|
| Name | {[3,4-(Methylenedioxy)anilino]methylene}malonic acid, diethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.105587265 u |
| Formula | C15H17NO6 |
| InChI | InChI=1S/C15H17NO6/c1-3-19-14(17)11(15(18)20-4-2)8-16-10-5-6-12-13(7-10)22-9-21-12/h5-8,16H,3-4,9H2,1-2H3 |
| InChIKey | XQBHPGINZRUJMP-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C2OCOC2=C1)C=C(C(OCC)=O)C(OCC)=O |