| SpectraBase Compound ID | 5ufY2AHn3Hp |
|---|---|
| InChI | InChI=1S/C16H19F3O/c1-13(8-6-12-15(20)16(17,18)19)7-5-11-14-9-3-2-4-10-14/h2-4,7,9-10H,5-6,8,11-12H2,1H3/b13-7+ |
| InChIKey | YVANGKULIJTNCL-NTUHNPAUSA-N |
| Mol Weight | 284.32 g/mol |
| Molecular Formula | C16H19F3O |
| Exact Mass | 284.1388 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BRZ2Xlgiexn |
|---|---|
| Name | (E)-6-Methyl-9-phenyl-1,1,1-trifluoronon-6-ene-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.138799720 u |
| Formula | C16H19F3O |
| InChI | InChI=1S/C16H19F3O/c1-13(8-6-12-15(20)16(17,18)19)7-5-11-14-9-3-2-4-10-14/h2-4,7,9-10H,5-6,8,11-12H2,1H3/b13-7+ |
| InChIKey | YVANGKULIJTNCL-NTUHNPAUSA-N |
| Molecular Weight | 284.322 g/mol |
| SMILES | C(C(=O)CCC\C(=C\CCC1=CC=CC=C1)C)(F)(F)F |