| SpectraBase Compound ID | FmaLZJcivxd |
|---|---|
| InChI | InChI=1S/C12H11FO4/c1-2-16-11(14)7-8-12(15)17-10-6-4-3-5-9(10)13/h3-8H,2H2,1H3/b8-7+ |
| InChIKey | ZRIXQQFMSPFVPI-BQYQJAHWSA-N |
| Mol Weight | 238.21 g/mol |
| Molecular Formula | C12H11FO4 |
| Exact Mass | 238.064137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hb8CPKdDSwp |
|---|---|
| Name | Fumaric acid, ethyl 2-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.064136993 u |
| Formula | C12H11FO4 |
| InChI | InChI=1S/C12H11FO4/c1-2-16-11(14)7-8-12(15)17-10-6-4-3-5-9(10)13/h3-8H,2H2,1H3/b8-7+ |
| InChIKey | ZRIXQQFMSPFVPI-BQYQJAHWSA-N |
| Molecular Weight | 238.214 g/mol |
| SMILES | C1(=C(C=CC=C1)OC(\C=C\C(OCC)=O)=O)F |