| SpectraBase Compound ID | F8IrMZBDzMK |
|---|---|
| InChI | InChI=1S/C14H17F3O/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(18)14(15,16)17/h7-10H,2-6H2,1H3 |
| InChIKey | YDNACSJWXFPUAG-UHFFFAOYSA-N |
| Mol Weight | 258.28 g/mol |
| Molecular Formula | C14H17F3O |
| Exact Mass | 258.12315 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 46t7TCGW04B |
|---|---|
| Name | Ethanone, 2,2,2-trifluoro-1-(4-hexylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.123149655 u |
| Formula | C14H17F3O |
| InChI | InChI=1S/C14H17F3O/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(18)14(15,16)17/h7-10H,2-6H2,1H3 |
| InChIKey | YDNACSJWXFPUAG-UHFFFAOYSA-N |
| Molecular Weight | 258.284 g/mol |
| SMILES | CCCCCCC1=CC=C(C=C1)C(=O)C(F)(F)F |