| SpectraBase Compound ID | J0MPwXBOYqc |
|---|---|
| InChI | InChI=1S/C10H9ClF3NO/c1-6(16)15-9(10(12,13)14)7-2-4-8(11)5-3-7/h2-5,9H,1H3,(H,15,16) |
| InChIKey | XMRAEHSHSOPBFL-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 | J1EYkteKEEx |
|---|---|
| Name | 1-(4-Chlorophenyl)-2,2,2-trifluoroethan-1-amine, 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)15-9(10(12,13)14)7-2-4-8(11)5-3-7/h2-5,9H,1H3,(H,15,16) |
| InChIKey | XMRAEHSHSOPBFL-UHFFFAOYSA-N |
| Molecular Weight | 251.636 g/mol |
| SMILES | C(F)(F)(F)C(NC(C)=O)C1=CC=C(C=C1)Cl |