| SpectraBase Compound ID | BKBpzVuolRT |
|---|---|
| InChI | InChI=1S/C8H5ClF3NO/c9-5-2-1-3-6(4-5)13-7(14)8(10,11)12/h1-4H,(H,13,14) |
| InChIKey | VRKVCIVKSRGSLU-UHFFFAOYSA-N |
| Mol Weight | 223.58 g/mol |
| Molecular Formula | C8H5ClF3NO |
| Exact Mass | 223.001176 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EtTaaos7tDc |
|---|---|
| Name | Acetamide, N-(3-chlorophenyl)-2,2,2-trifluoro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.001175973 u |
| Formula | C8H5ClF3NO |
| InChI | InChI=1S/C8H5ClF3NO/c9-5-2-1-3-6(4-5)13-7(14)8(10,11)12/h1-4H,(H,13,14) |
| InChIKey | VRKVCIVKSRGSLU-UHFFFAOYSA-N |
| Molecular Weight | 223.582 g/mol |
| SMILES | C1(Cl)=CC(NC(C(F)(F)F)=O)=CC=C1 |