| SpectraBase Compound ID | 2yFxuzsxPbf |
|---|---|
| InChI | InChI=1S/C17H12FNO2/c1-11-15(17(20)13-7-9-14(18)10-8-13)16(19-21-11)12-5-3-2-4-6-12/h2-10H,1H3 |
| InChIKey | LGYBLUITKOMAPE-UHFFFAOYSA-N |
| Mol Weight | 281.29 g/mol |
| Molecular Formula | C17H12FNO2 |
| Exact Mass | 281.085207 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gj7heCATufM |
|---|---|
| Name | p-Fluorophenyl 5-methyl-3-phneyl-4-isoxazolyl ketone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.085206791 u |
| Formula | C17H12FNO2 |
| InChI | InChI=1S/C17H12FNO2/c1-11-15(17(20)13-7-9-14(18)10-8-13)16(19-21-11)12-5-3-2-4-6-12/h2-10H,1H3 |
| InChIKey | LGYBLUITKOMAPE-UHFFFAOYSA-N |
| Molecular Weight | 281.286 g/mol |
| SMILES | C=1C(=CC=C(C1)F)C(C=1C(=NOC1C)C=1C=CC=CC1)=O |