| SpectraBase Compound ID | DwdSi8mrUif |
|---|---|
| InChI | InChI=1S/C17H13FO5/c1-21-14-8-4-5-9-15(14)23-17(20)11-10-16(19)22-13-7-3-2-6-12(13)18/h2-11H,1H3/b11-10+ |
| InChIKey | VDWGEXSGTUTYMO-ZHACJKMWSA-N |
| Mol Weight | 316.28 g/mol |
| Molecular Formula | C17H13FO5 |
| Exact Mass | 316.074702 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GnaVeIOwkj0 |
|---|---|
| Name | Fumaric acid, 2-methoxyphenyl 2-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.074701677 u |
| Formula | C17H13FO5 |
| InChI | InChI=1S/C17H13FO5/c1-21-14-8-4-5-9-15(14)23-17(20)11-10-16(19)22-13-7-3-2-6-12(13)18/h2-11H,1H3/b11-10+ |
| InChIKey | VDWGEXSGTUTYMO-ZHACJKMWSA-N |
| Molecular Weight | 316.284 g/mol |
| SMILES | C(\C=C\C(OC1=CC=CC=C1F)=O)(OC1=C(OC)C=CC=C1)=O |