| SpectraBase Compound ID | 3CyvZJnWurJ |
|---|---|
| InChI | InChI=1S/C12H7BrClFN2O/c13-7-3-4-10(9(15)6-7)17-12(18)8-2-1-5-16-11(8)14/h1-6H,(H,17,18) |
| InChIKey | BIEXLIKODOSEHA-UHFFFAOYSA-N |
| Mol Weight | 329.56 g/mol |
| Molecular Formula | C12H7BrClFN2O |
| Exact Mass | 327.941432 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L2jYuHLyAjO |
|---|---|
| Name | N-(4-Bromo-2-fluorophenyl)-2-chloronicotinamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.941431715 u |
| Formula | C12H7BrClFN2O |
| InChI | InChI=1S/C12H7BrClFN2O/c13-7-3-4-10(9(15)6-7)17-12(18)8-2-1-5-16-11(8)14/h1-6H,(H,17,18) |
| InChIKey | BIEXLIKODOSEHA-UHFFFAOYSA-N |
| Molecular Weight | 329.556 g/mol |
| SMILES | N(C(C=1C(=NC=CC1)Cl)=O)C=1C(=CC(=CC1)Br)F |