| SpectraBase Compound ID | HXJs0W3RCJ1 |
|---|---|
| InChI | InChI=1S/C19H26O6/c1-4-5-6-7-8-14-24-17(20)12-13-18(21)25-19-15(22-2)10-9-11-16(19)23-3/h9-13H,4-8,14H2,1-3H3/b13-12+ |
| InChIKey | FPICTEGOIZJHRA-OUKQBFOZSA-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 | KYunERTEXHV |
|---|---|
| Name | Fumaric acid, 2,6-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/c1-4-5-6-7-8-14-24-17(20)12-13-18(21)25-19-15(22-2)10-9-11-16(19)23-3/h9-13H,4-8,14H2,1-3H3/b13-12+ |
| InChIKey | FPICTEGOIZJHRA-OUKQBFOZSA-N |
| Molecular Weight | 350.411 g/mol |
| SMILES | CCCCCCCOC(\C=C\C(OC=1C(=CC=CC1OC)OC)=O)=O |