![N-[2-Chloro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide](/api/spectrum/8Bms3RU0Ya1/structure.png?h=300&w=458 "N-[2-Chloro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide")
| SpectraBase Compound ID | Lug1ofsZroF |
|---|---|
| InChI | InChI=1S/C12H13ClF3NO/c1-11(2,3)10(18)17-9-6-7(12(14,15)16)4-5-8(9)13/h4-6H,1-3H3,(H,17,18) |
| InChIKey | OJWMMXDENUPGEU-UHFFFAOYSA-N |
| Mol Weight | 279.69 g/mol |
| Molecular Formula | C12H13ClF3NO |
| Exact Mass | 279.063776 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Bms3RU0Ya1 |
|---|---|
| Name | N-[2-Chloro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.063776231 u |
| Formula | C12H13ClF3NO |
| InChI | InChI=1S/C12H13ClF3NO/c1-11(2,3)10(18)17-9-6-7(12(14,15)16)4-5-8(9)13/h4-6H,1-3H3,(H,17,18) |
| InChIKey | OJWMMXDENUPGEU-UHFFFAOYSA-N |
| Molecular Weight | 279.690 g/mol |
| SMILES | C(F)(F)(F)C1=CC(=C(C=C1)Cl)NC(=O)C(C)(C)C |