| SpectraBase Compound ID | GlOBHHZSUF8 |
|---|---|
| InChI | InChI=1S/C20H28O6/c1-4-5-6-7-8-9-15-25-18(21)13-14-19(22)26-20-16(23-2)11-10-12-17(20)24-3/h10-14H,4-9,15H2,1-3H3/b14-13+ |
| InChIKey | HEYJZJGYOZOAMW-BUHFOSPRSA-N |
| Mol Weight | 364.44 g/mol |
| Molecular Formula | C20H28O6 |
| Exact Mass | 364.188589 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3zlOlrKezjY |
|---|---|
| Name | Fumaric acid, 2,6-dimethoxyphenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.188588616 u |
| Formula | C20H28O6 |
| InChI | InChI=1S/C20H28O6/c1-4-5-6-7-8-9-15-25-18(21)13-14-19(22)26-20-16(23-2)11-10-12-17(20)24-3/h10-14H,4-9,15H2,1-3H3/b14-13+ |
| InChIKey | HEYJZJGYOZOAMW-BUHFOSPRSA-N |
| Molecular Weight | 364.438 g/mol |
| SMILES | CCCCCCCCOC(\C=C\C(OC=1C(=CC=CC1OC)OC)=O)=O |