| SpectraBase Compound ID | GZNvr2GATVS |
|---|---|
| InChI | InChI=1S/C14H9ClF3NO/c15-10-7-5-9(6-8-10)13(20)19-12-4-2-1-3-11(12)14(16,17)18/h1-8H,(H,19,20) |
| InChIKey | HTIFYGBRJKEMSV-UHFFFAOYSA-N |
| Mol Weight | 299.68 g/mol |
| Molecular Formula | C14H9ClF3NO |
| Exact Mass | 299.032476 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G6W6yIRaRSU |
|---|---|
| Name | 4-Chloro-A,A,A-trifluoro-o-benzotoluidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.032476102 u |
| Formula | C14H9ClF3NO |
| InChI | InChI=1S/C14H9ClF3NO/c15-10-7-5-9(6-8-10)13(20)19-12-4-2-1-3-11(12)14(16,17)18/h1-8H,(H,19,20) |
| InChIKey | HTIFYGBRJKEMSV-UHFFFAOYSA-N |
| Molecular Weight | 299.680 g/mol |
| SMILES | N(C=1C=CC=CC1C(F)(F)F)C(C=1C=CC(=CC1)Cl)=O |