| SpectraBase Compound ID | 3tkLwLHMLlz |
|---|---|
| InChI | InChI=1S/C9H6ClF3O/c10-7-3-1-6(2-4-7)8(14)5-9(11,12)13/h1-4H,5H2 |
| InChIKey | PLTVOBWRGAWZOU-UHFFFAOYSA-N |
| Mol Weight | 222.59 g/mol |
| Molecular Formula | C9H6ClF3O |
| Exact Mass | 222.005927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6amU7stT37X |
|---|---|
| Name | 1-(4-Chlorophenyl)-3,3,3-trifluoropropan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.005927001 u |
| Formula | C9H6ClF3O |
| InChI | InChI=1S/C9H6ClF3O/c10-7-3-1-6(2-4-7)8(14)5-9(11,12)13/h1-4H,5H2 |
| InChIKey | PLTVOBWRGAWZOU-UHFFFAOYSA-N |
| Molecular Weight | 222.594 g/mol |
| SMILES | C=1C=C(C(CC(F)(F)F)=O)C=CC1Cl |