| SpectraBase Compound ID | 5FGpC2glfYg |
|---|---|
| InChI | InChI=1S/C12H12Cl4FNO/c1-7(12(14,15)16)4-11(19)18-6-8-2-3-10(17)9(13)5-8/h2-3,5,7H,4,6H2,1H3,(H,18,19) |
| InChIKey | CZWBOWQQEFVYJS-UHFFFAOYSA-N |
| Mol Weight | 347.0 g/mol |
| Molecular Formula | C12H12Cl4FNO |
| Exact Mass | 344.965703 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DuiwMf3Wlk9 |
|---|---|
| Name | N-(3-Chloro-4-fluorobenzyl)-3-methyl-4,4,4-trichlorobutyramide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.965702972 u |
| Formula | C12H12Cl4FNO |
| InChI | InChI=1S/C12H12Cl4FNO/c1-7(12(14,15)16)4-11(19)18-6-8-2-3-10(17)9(13)5-8/h2-3,5,7H,4,6H2,1H3,(H,18,19) |
| InChIKey | CZWBOWQQEFVYJS-UHFFFAOYSA-N |
| Molecular Weight | 347.044 g/mol |
| SMILES | N(CC=1C=C(C(=CC1)F)Cl)C(CC(C(Cl)(Cl)Cl)C)=O |