| SpectraBase Compound ID | DvavEZhTRz2 |
|---|---|
| InChI | InChI=1S/C16H20O6/c1-11(2)10-21-14(17)8-9-15(18)22-16-12(19-3)6-5-7-13(16)20-4/h5-9,11H,10H2,1-4H3/b9-8+ |
| InChIKey | WBIBSGQHMHQOBQ-CMDGGOBGSA-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 | 7t1nEtnehBO |
|---|---|
| Name | Fumaric acid, 2,6-dimethoxyphenyl isobutyl 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/c1-11(2)10-21-14(17)8-9-15(18)22-16-12(19-3)6-5-7-13(16)20-4/h5-9,11H,10H2,1-4H3/b9-8+ |
| InChIKey | WBIBSGQHMHQOBQ-CMDGGOBGSA-N |
| Molecular Weight | 308.330 g/mol |
| SMILES | C1(=C(C=CC=C1OC)OC)OC(\C=C\C(OCC(C)C)=O)=O |