![4-[4-(Trifluoromethyl)phenyl]pentan-2-one](/api/spectrum/GXsifLzs2g9/structure.png?h=300&w=458 "4-[4-(Trifluoromethyl)phenyl]pentan-2-one")
| SpectraBase Compound ID | DUZRRzbmtJZ |
|---|---|
| InChI | InChI=1S/C12H13F3O/c1-8(7-9(2)16)10-3-5-11(6-4-10)12(13,14)15/h3-6,8H,7H2,1-2H3 |
| InChIKey | RPFCNBLAYZFQQN-UHFFFAOYSA-N |
| Mol Weight | 230.23 g/mol |
| Molecular Formula | C12H13F3O |
| Exact Mass | 230.09185 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GXsifLzs2g9 |
|---|---|
| Name | 4-[4-(Trifluoromethyl)phenyl]pentan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.091849527 u |
| Formula | C12H13F3O |
| InChI | InChI=1S/C12H13F3O/c1-8(7-9(2)16)10-3-5-11(6-4-10)12(13,14)15/h3-6,8H,7H2,1-2H3 |
| InChIKey | RPFCNBLAYZFQQN-UHFFFAOYSA-N |
| Molecular Weight | 230.230 g/mol |
| SMILES | C(C1=CC=C(C=C1)C(CC(=O)C)C)(F)(F)F |