| SpectraBase Compound ID | 3z2FgrFjjhM |
|---|---|
| InChI | InChI=1S/C16H20O6/c1-5-21-15(17)12(16(18)22-6-2)10-11-8-7-9-13(19-3)14(11)20-4/h7-10H,5-6H2,1-4H3 |
| InChIKey | VCHSRJSLOQLZKE-UHFFFAOYSA-N |
| Mol Weight | 308.33 g/mol |
| Molecular Formula | C16H20O6 |
| Exact Mass | 308.125988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gusj0iiCRZ2 |
|---|---|
| Name | 2-(2,3-Dimethoxybenzylidene)malonic acid diethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.125988358 u |
| Formula | C16H20O6 |
| InChI | InChI=1S/C16H20O6/c1-5-21-15(17)12(16(18)22-6-2)10-11-8-7-9-13(19-3)14(11)20-4/h7-10H,5-6H2,1-4H3 |
| InChIKey | VCHSRJSLOQLZKE-UHFFFAOYSA-N |
| Molecular Weight | 308.330 g/mol |
| SMILES | C(=CC=1C(=C(OC)C=CC1)OC)(C(=O)OCC)C(=O)OCC |