| SpectraBase Compound ID | CwM7XYW0Br2 |
|---|---|
| InChI | InChI=1S/C10H6ClF6NO/c11-6-3-1-5(2-4-6)7(9(12,13)14)18-8(19)10(15,16)17/h1-4,7H,(H,18,19) |
| InChIKey | LVHZWLZGIWNMLM-UHFFFAOYSA-N |
| Mol Weight | 305.61 g/mol |
| Molecular Formula | C10H6ClF6NO |
| Exact Mass | 305.00421 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7NFwHWOlhqw |
|---|---|
| Name | 1-(4-Chlorophenyl)-2,2,2-trifluoroethan-1-amine, N-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.004210494 u |
| Formula | C10H6ClF6NO |
| InChI | InChI=1S/C10H6ClF6NO/c11-6-3-1-5(2-4-6)7(9(12,13)14)18-8(19)10(15,16)17/h1-4,7H,(H,18,19) |
| InChIKey | LVHZWLZGIWNMLM-UHFFFAOYSA-N |
| Molecular Weight | 305.607 g/mol |
| SMILES | C(F)(F)(F)C(NC(C(F)(F)F)=O)C1=CC=C(C=C1)Cl |