| SpectraBase Compound ID | CPfeVGphK9b |
|---|---|
| InChI | InChI=1S/C19H26O6/c1-4-5-6-7-8-13-24-18(20)11-12-19(21)25-15-9-10-16(22-2)17(14-15)23-3/h9-12,14H,4-8,13H2,1-3H3/b12-11+ |
| InChIKey | OIJNMJKSLMYEOJ-VAWYXSNFSA-N |
| Mol Weight | 350.41 g/mol |
| Molecular Formula | C19H26O6 |
| Exact Mass | 350.172939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I7RTYYhtBZU |
|---|---|
| Name | Fumaric acid, 3,4-dimethoxyphenyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.172938551 u |
| Formula | C19H26O6 |
| InChI | InChI=1S/C19H26O6/c1-4-5-6-7-8-13-24-18(20)11-12-19(21)25-15-9-10-16(22-2)17(14-15)23-3/h9-12,14H,4-8,13H2,1-3H3/b12-11+ |
| InChIKey | OIJNMJKSLMYEOJ-VAWYXSNFSA-N |
| Molecular Weight | 350.411 g/mol |
| SMILES | COC1=CC(OC(\C=C\C(OCCCCCCC)=O)=O)=CC=C1OC |