| SpectraBase Compound ID | BWSszpeKYv5 |
|---|---|
| InChI | InChI=1S/C16H20O6/c1-4-5-10-21-15(17)8-9-16(18)22-12-6-7-13(19-2)14(11-12)20-3/h6-9,11H,4-5,10H2,1-3H3/b9-8+ |
| InChIKey | PQYHMLFEDDSNHV-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 | G5gwCAky6s |
|---|---|
| Name | Fumaric acid, butyl 3,4-dimethoxyphenyl 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/c1-4-5-10-21-15(17)8-9-16(18)22-12-6-7-13(19-2)14(11-12)20-3/h6-9,11H,4-5,10H2,1-3H3/b9-8+ |
| InChIKey | PQYHMLFEDDSNHV-CMDGGOBGSA-N |
| Molecular Weight | 308.330 g/mol |
| SMILES | COC1=CC(OC(\C=C\C(OCCCC)=O)=O)=CC=C1OC |