| SpectraBase Compound ID | 6WdNucNEOM9 |
|---|---|
| InChI | InChI=1S/C14H10ClF3N2O/c15-10-4-2-6-12(8-10)20-13(21)19-11-5-1-3-9(7-11)14(16,17)18/h1-8H,(H2,19,20,21) |
| InChIKey | NDQIQDAGFAJVRK-UHFFFAOYSA-N |
| Mol Weight | 314.7 g/mol |
| Molecular Formula | C14H10ClF3N2O |
| Exact Mass | 314.043375 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1lTYFvDJ7JU |
|---|---|
| Name | 3-Chloro-3'-(trifluoromethyl)carbanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.043375138 u |
| Formula | C14H10ClF3N2O |
| InChI | InChI=1S/C14H10ClF3N2O/c15-10-4-2-6-12(8-10)20-13(21)19-11-5-1-3-9(7-11)14(16,17)18/h1-8H,(H2,19,20,21) |
| InChIKey | NDQIQDAGFAJVRK-UHFFFAOYSA-N |
| Molecular Weight | 314.695 g/mol |
| SMILES | N(C1=CC=CC(=C1)C(F)(F)F)C(NC=1C=CC=C(Cl)C1)=O |