| SpectraBase Compound ID | 9JCjCLuDbd3 |
|---|---|
| InChI | InChI=1S/C13H17BrN2O/c1-16(12-5-3-2-4-6-12)13(17)10-7-11(14)9-15-8-10/h7-9,12H,2-6H2,1H3 |
| InChIKey | AYFJHEKAAXEAMM-UHFFFAOYSA-N |
| Mol Weight | 297.2 g/mol |
| Molecular Formula | C13H17BrN2O |
| Exact Mass | 296.052426 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7aABbdtBC8H |
|---|---|
| Name | 5-Bromo-N-cyclohexylnicotinamide, N-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.052426174 u |
| Formula | C13H17BrN2O |
| InChI | InChI=1S/C13H17BrN2O/c1-16(12-5-3-2-4-6-12)13(17)10-7-11(14)9-15-8-10/h7-9,12H,2-6H2,1H3 |
| InChIKey | AYFJHEKAAXEAMM-UHFFFAOYSA-N |
| SMILES | C(N(C1CCCCC1)C)(=O)C1=CC(Br)=CN=C1 |