| SpectraBase Compound ID | 8HWzJhaPDJ1 |
|---|---|
| InChI | InChI=1S/C10H8ClF3O/c11-8-4-2-1-3-7(8)9(15)5-6-10(12,13)14/h1-4H,5-6H2 |
| InChIKey | ULOBBEHMEXWEQR-UHFFFAOYSA-N |
| Mol Weight | 236.62 g/mol |
| Molecular Formula | C10H8ClF3O |
| Exact Mass | 236.021577 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5rwEPhd5i4y |
|---|---|
| Name | 1-(2-Chlorophenyl)-4,4,4-trifluorobutan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.021577066 u |
| Formula | C10H8ClF3O |
| InChI | InChI=1S/C10H8ClF3O/c11-8-4-2-1-3-7(8)9(15)5-6-10(12,13)14/h1-4H,5-6H2 |
| InChIKey | ULOBBEHMEXWEQR-UHFFFAOYSA-N |
| Molecular Weight | 236.621 g/mol |
| SMILES | C1(Cl)=C(C(=O)CCC(F)(F)F)C=CC=C1 |