| SpectraBase Compound ID | 9w06icylOIK |
|---|---|
| InChI | InChI=1S/C8H9BrN2O/c1-2-8(12)11-7-4-3-6(9)5-10-7/h3-5H,2H2,1H3,(H,10,11,12) |
| InChIKey | BBIDCRCDYZHCBN-UHFFFAOYSA-N |
| Mol Weight | 229.08 g/mol |
| Molecular Formula | C8H9BrN2O |
| Exact Mass | 227.989826 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 89clgmVMsBQ |
|---|---|
| Name | N-(5-Bromo-2-pyridinyl)propanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.989825917 u |
| Formula | C8H9BrN2O |
| InChI | InChI=1S/C8H9BrN2O/c1-2-8(12)11-7-4-3-6(9)5-10-7/h3-5H,2H2,1H3,(H,10,11,12) |
| InChIKey | BBIDCRCDYZHCBN-UHFFFAOYSA-N |
| Molecular Weight | 229.077 g/mol |
| SMILES | C1(Br)=CN=C(C=C1)NC(=O)CC |