| SpectraBase Compound ID | 6bFPgNZluYV |
|---|---|
| InChI | InChI=1S/C22H32O6/c1-4-5-6-7-8-9-10-11-17-27-20(23)15-16-21(24)28-22-18(25-2)13-12-14-19(22)26-3/h12-16H,4-11,17H2,1-3H3/b16-15+ |
| InChIKey | FOPLBRRLTIQTQK-FOCLMDBBSA-N |
| Mol Weight | 392.5 g/mol |
| Molecular Formula | C22H32O6 |
| Exact Mass | 392.219889 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6u80fx0UO6 |
|---|---|
| Name | Fumaric acid, decyl 2,6-dimethoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 392.219888744 u |
| Formula | C22H32O6 |
| InChI | InChI=1S/C22H32O6/c1-4-5-6-7-8-9-10-11-17-27-20(23)15-16-21(24)28-22-18(25-2)13-12-14-19(22)26-3/h12-16H,4-11,17H2,1-3H3/b16-15+ |
| InChIKey | FOPLBRRLTIQTQK-FOCLMDBBSA-N |
| Molecular Weight | 392.492 g/mol |
| SMILES | CCCCCCCCCCOC(\C=C\C(OC=1C(=CC=CC1OC)OC)=O)=O |