| SpectraBase Compound ID | FQEqgf1Ki0e |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-5-7-8-17(6-2)14-23-19(21)9-10-20(22)24-18-12-15(3)11-16(4)13-18/h9-13,17H,5-8,14H2,1-4H3/b10-9+ |
| InChIKey | WSDNHSPDPXRVKI-MDZDMXLPSA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C20H28O4 |
| Exact Mass | 332.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5xiGw0gKeKI |
|---|---|
| Name | Fumaric acid, 3,5-dimethylphenyl 2-ethylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.198759378 u |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-5-7-8-17(6-2)14-23-19(21)9-10-20(22)24-18-12-15(3)11-16(4)13-18/h9-13,17H,5-8,14H2,1-4H3/b10-9+ |
| InChIKey | WSDNHSPDPXRVKI-MDZDMXLPSA-N |
| Molecular Weight | 332.440 g/mol |
| SMILES | C(\C=C\C(OCC(CC)CCCC)=O)(OC1=CC(=CC(=C1)C)C)=O |