| SpectraBase Compound ID | 6JGwWy9RlKw |
|---|---|
| InChI | InChI=1S/C17H20O6/c1-12(2)10-11-22-15(18)8-9-16(19)23-17-13(20-3)6-5-7-14(17)21-4/h5-10H,11H2,1-4H3/b9-8+ |
| InChIKey | BTVLEQBHNAPDFI-CMDGGOBGSA-N |
| Mol Weight | 320.34 g/mol |
| Molecular Formula | C17H20O6 |
| Exact Mass | 320.125988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2LrNa7jCQDi |
|---|---|
| Name | Fumaric acid, 2,6-dimethoxyphenyl 3-methylbut-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.125988358 u |
| Formula | C17H20O6 |
| InChI | InChI=1S/C17H20O6/c1-12(2)10-11-22-15(18)8-9-16(19)23-17-13(20-3)6-5-7-14(17)21-4/h5-10H,11H2,1-4H3/b9-8+ |
| InChIKey | BTVLEQBHNAPDFI-CMDGGOBGSA-N |
| Molecular Weight | 320.341 g/mol |
| SMILES | C(\C=C\C(OCC=C(C)C)=O)(OC1=C(C=CC=C1OC)OC)=O |