| SpectraBase Compound ID | 1hKkZ8wj011 |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-4-5-6-7-8-13-22-18(20)11-12-19(21)23-17-14-15(2)9-10-16(17)3/h9-12,14H,4-8,13H2,1-3H3/b12-11+ |
| InChIKey | DMEPYQUEOWCAHM-VAWYXSNFSA-N |
| Mol Weight | 318.41 g/mol |
| Molecular Formula | C19H26O4 |
| Exact Mass | 318.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2sUoXTQ7f6y |
|---|---|
| Name | Fumaric acid, 2,5-dimethylphenyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.183109313 u |
| Formula | C19H26O4 |
| InChI | InChI=1S/C19H26O4/c1-4-5-6-7-8-13-22-18(20)11-12-19(21)23-17-14-15(2)9-10-16(17)3/h9-12,14H,4-8,13H2,1-3H3/b12-11+ |
| InChIKey | DMEPYQUEOWCAHM-VAWYXSNFSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | C(\C=C\C(OC1=C(C=CC(=C1)C)C)=O)(OCCCCCCC)=O |