| SpectraBase Compound ID | FsqwM2wPzmR |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-4-5-6-7-8-9-14-23-19(21)12-13-20(22)24-18-15-16(2)10-11-17(18)3/h10-13,15H,4-9,14H2,1-3H3/b13-12+ |
| InChIKey | VMYZSWOVTDWPKK-OUKQBFOZSA-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 | BjrMuGeVKyX |
|---|---|
| Name | Fumaric acid, 2,5-dimethylphenyl octyl 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/c1-4-5-6-7-8-9-14-23-19(21)12-13-20(22)24-18-15-16(2)10-11-17(18)3/h10-13,15H,4-9,14H2,1-3H3/b13-12+ |
| InChIKey | VMYZSWOVTDWPKK-OUKQBFOZSA-N |
| Molecular Weight | 332.440 g/mol |
| SMILES | C(\C=C\C(OC1=C(C=CC(=C1)C)C)=O)(OCCCCCCCC)=O |