![3-oxo-N-[2-(Trifluoromethyl)phenyl]butanamide (isomer 1)](/api/spectrum/GKfopoTd4gO/structure.png?h=300&w=458 "3-oxo-N-[2-(Trifluoromethyl)phenyl]butanamide (isomer 1)")
| SpectraBase Compound ID | Kf27rByc7re |
|---|---|
| InChI | InChI=1S/C11H10F3NO2/c1-7(16)6-10(17)15-9-5-3-2-4-8(9)11(12,13)14/h2-5H,6H2,1H3,(H,15,17) |
| InChIKey | VATRWWPJWVCZTA-UHFFFAOYSA-N |
| Mol Weight | 245.2 g/mol |
| Molecular Formula | C11H10F3NO2 |
| Exact Mass | 245.066363 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GKfopoTd4gO |
|---|---|
| Name | 3-oxo-N-[2-(Trifluoromethyl)phenyl]butanamide (isomer 1) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.066363053 u |
| Formula | C11H10F3NO2 |
| InChI | InChI=1S/C11H10F3NO2/c1-7(16)6-10(17)15-9-5-3-2-4-8(9)11(12,13)14/h2-5H,6H2,1H3,(H,15,17) |
| InChIKey | VATRWWPJWVCZTA-UHFFFAOYSA-N |
| Molecular Weight | 245.201 g/mol |
| SMILES | C(F)(F)(F)C1=C(C=CC=C1)NC(=O)CC(=O)C |