| SpectraBase Compound ID | 50YMviCB1ec |
|---|---|
| InChI | InChI=1S/C9H7ClF3NO/c1-5-4-6(10)2-3-7(5)14-8(15)9(11,12)13/h2-4H,1H3,(H,14,15) |
| InChIKey | NLFQKSORHQIDOE-UHFFFAOYSA-N |
| Mol Weight | 237.61 g/mol |
| Molecular Formula | C9H7ClF3NO |
| Exact Mass | 237.016826 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1qwHjVcu9u9 |
|---|---|
| Name | 4-Chloro-o-toluidine, N-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.016826037 u |
| Formula | C9H7ClF3NO |
| InChI | InChI=1S/C9H7ClF3NO/c1-5-4-6(10)2-3-7(5)14-8(15)9(11,12)13/h2-4H,1H3,(H,14,15) |
| InChIKey | NLFQKSORHQIDOE-UHFFFAOYSA-N |
| Molecular Weight | 237.609 g/mol |
| SMILES | C1(=C(C)C=C(C=C1)Cl)NC(C(F)(F)F)=O |