| SpectraBase Compound ID | qRA3hAMAZf |
|---|---|
| InChI | InChI=1S/C14H16O6/c1-4-19-12(15)8-9-13(16)20-14-10(17-2)6-5-7-11(14)18-3/h5-9H,4H2,1-3H3/b9-8+ |
| InChIKey | VEAPKIHAETYFFZ-CMDGGOBGSA-N |
| Mol Weight | 280.28 g/mol |
| Molecular Formula | C14H16O6 |
| Exact Mass | 280.094688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9aSjvTHk0PD |
|---|---|
| Name | Fumaric acid, 2,6-dimethoxyphenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.094688229 u |
| Formula | C14H16O6 |
| InChI | InChI=1S/C14H16O6/c1-4-19-12(15)8-9-13(16)20-14-10(17-2)6-5-7-11(14)18-3/h5-9H,4H2,1-3H3/b9-8+ |
| InChIKey | VEAPKIHAETYFFZ-CMDGGOBGSA-N |
| SMILES | C1(=C(C=CC=C1OC)OC)OC(\C=C\C(OCC)=O)=O |