| SpectraBase Compound ID | 8GjPKk2wAUX |
|---|---|
| InChI | InChI=1S/C20H36O5/c1-4-5-6-7-8-9-10-11-15-24-19(21)12-13-20(22)25-17-18(2)14-16-23-3/h12-13,18H,4-11,14-17H2,1-3H3/b13-12+ |
| InChIKey | JCDQLFAIEFRBLX-OUKQBFOZSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C20H36O5 |
| Exact Mass | 356.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | dAlgZJbhkB |
|---|---|
| Name | Fumaric acid, decyl 2-methyl-4-methoxybutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.256274254 u |
| Formula | C20H36O5 |
| InChI | InChI=1S/C20H36O5/c1-4-5-6-7-8-9-10-11-15-24-19(21)12-13-20(22)25-17-18(2)14-16-23-3/h12-13,18H,4-11,14-17H2,1-3H3/b13-12+ |
| InChIKey | JCDQLFAIEFRBLX-OUKQBFOZSA-N |
| Molecular Weight | 356.503 g/mol |
| SMILES | C(\C=C\C(OCC(CCOC)C)=O)(OCCCCCCCCCC)=O |