| SpectraBase Compound ID | FtoMAow8sST |
|---|---|
| InChI | InChI=1S/C18H15FO6/c1-22-14-8-5-9-15(23-2)18(14)25-17(21)11-10-16(20)24-13-7-4-3-6-12(13)19/h3-11H,1-2H3/b11-10+ |
| InChIKey | GPRRCJQCBVYZMB-ZHACJKMWSA-N |
| Mol Weight | 346.31 g/mol |
| Molecular Formula | C18H15FO6 |
| Exact Mass | 346.085266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 41U7IP3eFlk |
|---|---|
| Name | Fumaric acid, 2,6-dimethoxyphenyl 2-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.085266360 u |
| Formula | C18H15FO6 |
| InChI | InChI=1S/C18H15FO6/c1-22-14-8-5-9-15(23-2)18(14)25-17(21)11-10-16(20)24-13-7-4-3-6-12(13)19/h3-11H,1-2H3/b11-10+ |
| InChIKey | GPRRCJQCBVYZMB-ZHACJKMWSA-N |
| Molecular Weight | 346.310 g/mol |
| SMILES | C(\C=C\C(OC1=CC=CC=C1F)=O)(OC1=C(C=CC=C1OC)OC)=O |