| SpectraBase Compound ID | IdJp3zII9z8 |
|---|---|
| InChI | InChI=1S/C19H17FO4/c1-2-16(14-8-4-3-5-9-14)23-18(21)12-13-19(22)24-17-11-7-6-10-15(17)20/h3-13,16H,2H2,1H3/b13-12+ |
| InChIKey | SMRYFGPFDCSYMG-OUKQBFOZSA-N |
| Mol Weight | 328.34 g/mol |
| Molecular Formula | C19H17FO4 |
| Exact Mass | 328.111087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6kQS97Rp7YA |
|---|---|
| Name | Fumaric acid, 1-phenylprop-1-yl 2-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.111087186 u |
| Formula | C19H17FO4 |
| InChI | InChI=1S/C19H17FO4/c1-2-16(14-8-4-3-5-9-14)23-18(21)12-13-19(22)24-17-11-7-6-10-15(17)20/h3-13,16H,2H2,1H3/b13-12+ |
| InChIKey | SMRYFGPFDCSYMG-OUKQBFOZSA-N |
| Molecular Weight | 328.339 g/mol |
| SMILES | C(\C=C\C(OC1=CC=CC=C1F)=O)(OC(CC)C1=CC=CC=C1)=O |