| SpectraBase Compound ID | JlYXw9LqNCr |
|---|---|
| InChI | InChI=1S/C14H15FO2/c1-11(16)5-3-2-4-6-14(17)12-7-9-13(15)10-8-12/h4,6-10H,2-3,5H2,1H3/b6-4+ |
| InChIKey | WKSZLPSWRAFUSQ-GQCTYLIASA-N |
| Mol Weight | 234.27 g/mol |
| Molecular Formula | C14H15FO2 |
| Exact Mass | 234.105608 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 74tyBULz8OT |
|---|---|
| Name | 1-(4-Fluoro-phenyl)-oct-2-ene-1,7-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.105607884 u |
| Formula | C14H15FO2 |
| InChI | InChI=1S/C14H15FO2/c1-11(16)5-3-2-4-6-14(17)12-7-9-13(15)10-8-12/h4,6-10H,2-3,5H2,1H3/b6-4+ |
| InChIKey | WKSZLPSWRAFUSQ-GQCTYLIASA-N |
| Molecular Weight | 234.270 g/mol |
| SMILES | C=1C=C(C=CC1F)C(=O)\C=C\CCCC(C)=O |