| SpectraBase Compound ID | 5hT8kq8MS5o |
|---|---|
| InChI | InChI=1S/C21H30O6/c1-4-5-6-7-8-9-10-16-26-19(22)14-15-20(23)27-21-17(24-2)12-11-13-18(21)25-3/h11-15H,4-10,16H2,1-3H3/b15-14+ |
| InChIKey | LNXUWHOTHYRLGC-CCEZHUSRSA-N |
| Mol Weight | 378.47 g/mol |
| Molecular Formula | C21H30O6 |
| Exact Mass | 378.204239 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IPWqGqTMpYs |
|---|---|
| Name | Fumaric acid, 2,6-dimethoxyphenyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.204238680 u |
| Formula | C21H30O6 |
| InChI | InChI=1S/C21H30O6/c1-4-5-6-7-8-9-10-16-26-19(22)14-15-20(23)27-21-17(24-2)12-11-13-18(21)25-3/h11-15H,4-10,16H2,1-3H3/b15-14+ |
| InChIKey | LNXUWHOTHYRLGC-CCEZHUSRSA-N |
| Molecular Weight | 378.465 g/mol |
| SMILES | CCCCCCCCCOC(\C=C\C(OC1=C(C=CC=C1OC)OC)=O)=O |