| SpectraBase Compound ID | 9xSIIzCtSPw |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-4-5-6-7-8-13-22-18(20)11-12-19(21)23-17-10-9-15(2)16(3)14-17/h9-12,14H,4-8,13H2,1-3H3/b12-11+ |
| InChIKey | ISFLXEWVGBHQTM-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 | 8k6TgXCMZPB |
|---|---|
| Name | Fumaric acid, 3,4-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)23-17-10-9-15(2)16(3)14-17/h9-12,14H,4-8,13H2,1-3H3/b12-11+ |
| InChIKey | ISFLXEWVGBHQTM-VAWYXSNFSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | CCCCCCCOC(\C=C\C(OC1=CC=C(C(=C1)C)C)=O)=O |