| SpectraBase Compound ID | 5tD3O5CK26h |
|---|---|
| InChI | InChI=1S/C10H9ClF3NO/c1-6(16)15-5-7-2-3-9(11)8(4-7)10(12,13)14/h2-4H,5H2,1H3,(H,15,16) |
| InChIKey | ASXBMURNKJINLI-UHFFFAOYSA-N |
| Mol Weight | 251.64 g/mol |
| Molecular Formula | C10H9ClF3NO |
| Exact Mass | 251.032476 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 | HYb9t8ddMJ2 |
|---|---|
| Name | 4-Chloro-3-(trifluoromethyl)benzylamine, N-acetyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.032476102 u |
| Formula | C10H9ClF3NO |
| InChI | InChI=1S/C10H9ClF3NO/c1-6(16)15-5-7-2-3-9(11)8(4-7)10(12,13)14/h2-4H,5H2,1H3,(H,15,16) |
| InChIKey | ASXBMURNKJINLI-UHFFFAOYSA-N |
| Molecular Weight | 251.636 g/mol |
| SMILES | C(NC(=O)C)C1=CC(=C(C=C1)Cl)C(F)(F)F |