| SpectraBase Compound ID | F6KwMJTB6tq |
|---|---|
| InChI | InChI=1S/C12H8BrClN2O/c13-9-3-1-2-8(6-9)12(17)16-11-5-4-10(14)7-15-11/h1-7H,(H,15,16,17) |
| InChIKey | UZZLSZZSCCZKHP-UHFFFAOYSA-N |
| Mol Weight | 311.57 g/mol |
| Molecular Formula | C12H8BrClN2O |
| Exact Mass | 309.950854 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I8IuCKO7Ka |
|---|---|
| Name | 3-Bromo-N-(5-chloro-2-pyridyl)benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.950853585 u |
| Formula | C12H8BrClN2O |
| InChI | InChI=1S/C12H8BrClN2O/c13-9-3-1-2-8(6-9)12(17)16-11-5-4-10(14)7-15-11/h1-7H,(H,15,16,17) |
| InChIKey | UZZLSZZSCCZKHP-UHFFFAOYSA-N |
| Molecular Weight | 311.566 g/mol |
| SMILES | C1(=CC=CC(=C1)C(NC1=NC=C(C=C1)Cl)=O)Br |