| SpectraBase Compound ID | JVc7IUj9AEZ |
|---|---|
| InChI | InChI=1S/C21H30O6/c1-4-5-6-7-8-9-10-15-26-20(22)13-14-21(23)27-17-11-12-18(24-2)19(16-17)25-3/h11-14,16H,4-10,15H2,1-3H3/b14-13+ |
| InChIKey | KXFMBMCMVYNTBU-BUHFOSPRSA-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 | IcwYCbGTosF |
|---|---|
| Name | Fumaric acid, 3,4-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/c1-4-5-6-7-8-9-10-15-26-20(22)13-14-21(23)27-17-11-12-18(24-2)19(16-17)25-3/h11-14,16H,4-10,15H2,1-3H3/b14-13+ |
| InChIKey | KXFMBMCMVYNTBU-BUHFOSPRSA-N |
| Molecular Weight | 378.465 g/mol |
| SMILES | COC1=CC(OC(\C=C\C(OCCCCCCCCC)=O)=O)=CC=C1OC |