| SpectraBase Compound ID | GG9Dt4LmbCm |
|---|---|
| InChI | InChI=1S/C15H17FO4/c1-2-3-6-11-19-14(17)9-10-15(18)20-13-8-5-4-7-12(13)16/h4-5,7-10H,2-3,6,11H2,1H3/b10-9+ |
| InChIKey | IVLHNIYQNMKBJQ-MDZDMXLPSA-N |
| Mol Weight | 280.3 g/mol |
| Molecular Formula | C15H17FO4 |
| Exact Mass | 280.111087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BpeBCHl2wGP |
|---|---|
| Name | Fumaric acid, 2-fluorophenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.111087186 u |
| Formula | C15H17FO4 |
| InChI | InChI=1S/C15H17FO4/c1-2-3-6-11-19-14(17)9-10-15(18)20-13-8-5-4-7-12(13)16/h4-5,7-10H,2-3,6,11H2,1H3/b10-9+ |
| InChIKey | IVLHNIYQNMKBJQ-MDZDMXLPSA-N |
| Molecular Weight | 280.295 g/mol |
| SMILES | C1(=C(C=CC=C1)OC(\C=C\C(OCCCCC)=O)=O)F |