| SpectraBase Compound ID | 5eoapnqYaej |
|---|---|
| InChI | InChI=1S/C14H11BrN2/c1-11-5-2-8-13(16-11)14-9-3-6-12(17-14)7-4-10-15/h2-3,5-6,8-9H,10H2,1H3 |
| InChIKey | DQMFETHZATYZKT-UHFFFAOYSA-N |
| Mol Weight | 287.16 g/mol |
| Molecular Formula | C14H11BrN2 |
| Exact Mass | 286.010561 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6RfE91livN1 |
|---|---|
| Name | 3-Bromo-1-(6'-methyl-2,2'-bipyridin-6-yl)prop-1-yne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.010561362 u |
| Formula | C14H11BrN2 |
| InChI | InChI=1S/C14H11BrN2/c1-11-5-2-8-13(16-11)14-9-3-6-12(17-14)7-4-10-15/h2-3,5-6,8-9H,10H2,1H3 |
| InChIKey | DQMFETHZATYZKT-UHFFFAOYSA-N |
| SMILES | C=1(N=C(C=CC1)C#CCBr)C=1N=C(C)C=CC1 |