| SpectraBase Compound ID | 9CyzJ7pwibR |
|---|---|
| InChI | InChI=1S/C16H20O6/c1-4-5-11-21-14(17)9-10-15(18)22-16-12(19-2)7-6-8-13(16)20-3/h6-10H,4-5,11H2,1-3H3/b10-9+ |
| InChIKey | WVVZUDRCIWAHHN-MDZDMXLPSA-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 | 2qNQId1ny3 |
|---|---|
| Name | Fumaric acid, butyl 2,6-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/c1-4-5-11-21-14(17)9-10-15(18)22-16-12(19-2)7-6-8-13(16)20-3/h6-10H,4-5,11H2,1-3H3/b10-9+ |
| InChIKey | WVVZUDRCIWAHHN-MDZDMXLPSA-N |
| Molecular Weight | 308.330 g/mol |
| SMILES | CCCCOC(\C=C\C(OC1=C(C=CC=C1OC)OC)=O)=O |