| SpectraBase Compound ID | 6sVIY9auEBG |
|---|---|
| InChI | InChI=1S/C13H10BrClN2O/c1-8-4-5-11(10(14)7-8)17-13(18)9-3-2-6-16-12(9)15/h2-7H,1H3,(H,17,18) |
| InChIKey | QFALPDMTLOOXNY-UHFFFAOYSA-N |
| Mol Weight | 325.59 g/mol |
| Molecular Formula | C13H10BrClN2O |
| Exact Mass | 323.966504 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CuoT6Gqqooq |
|---|---|
| Name | N-(2-Bromo-4-methylphenyl)-2-chloronicotinamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.966503649 u |
| Formula | C13H10BrClN2O |
| InChI | InChI=1S/C13H10BrClN2O/c1-8-4-5-11(10(14)7-8)17-13(18)9-3-2-6-16-12(9)15/h2-7H,1H3,(H,17,18) |
| InChIKey | QFALPDMTLOOXNY-UHFFFAOYSA-N |
| Molecular Weight | 325.593 g/mol |
| SMILES | N(C(C=1C(=NC=CC1)Cl)=O)C=1C(=CC(=CC1)C)Br |