| SpectraBase Compound ID | 7tKFbZdw7s2 |
|---|---|
| InChI | InChI=1S/C11H12F3NO/c1-7(2)10(16)15-9-5-3-4-8(6-9)11(12,13)14/h3-7H,1-2H3,(H,15,16) |
| InChIKey | GETMKVRSDFVVHL-UHFFFAOYSA-N |
| Mol Weight | 231.22 g/mol |
| Molecular Formula | C11H12F3NO |
| Exact Mass | 231.087098 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | eed2LB5cov |
|---|---|
| Name | 3'-Trifluoromethylisobutyranilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.087098498 u |
| Formula | C11H12F3NO |
| InChI | InChI=1S/C11H12F3NO/c1-7(2)10(16)15-9-5-3-4-8(6-9)11(12,13)14/h3-7H,1-2H3,(H,15,16) |
| InChIKey | GETMKVRSDFVVHL-UHFFFAOYSA-N |
| Molecular Weight | 231.218 g/mol |
| SMILES | C1=C(C=C(C=C1)NC(=O)C(C)C)C(F)(F)F |