| SpectraBase Compound ID | Fda7sHOGyQZ |
|---|---|
| InChI | InChI=1S/C14H8Cl2F3NO/c15-10-6-5-8(7-11(10)16)13(21)20-12-4-2-1-3-9(12)14(17,18)19/h1-7H,(H,20,21) |
| InChIKey | XKXGHFRSYQPKGH-UHFFFAOYSA-N |
| Mol Weight | 334.13 g/mol |
| Molecular Formula | C14H8Cl2F3NO |
| Exact Mass | 332.993504 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GloPBMdc8e5 |
|---|---|
| Name | 3,4-Dichloro-alpha,alpha,alpha-trifluoro-o-benzotoluidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.993503770 u |
| Formula | C14H8Cl2F3NO |
| InChI | InChI=1S/C14H8Cl2F3NO/c15-10-6-5-8(7-11(10)16)13(21)20-12-4-2-1-3-9(12)14(17,18)19/h1-7H,(H,20,21) |
| InChIKey | XKXGHFRSYQPKGH-UHFFFAOYSA-N |
| Molecular Weight | 334.125 g/mol |
| SMILES | C(F)(F)(F)C=1C(=CC=CC1)NC(C=1C=C(C(=CC1)Cl)Cl)=O |