| SpectraBase Compound ID | A3tns270eId |
|---|---|
| InChI | InChI=1S/C16H18BrN/c1-2-3-4-5-13-6-11-16(18-12-13)14-7-9-15(17)10-8-14/h6-12H,2-5H2,1H3 |
| InChIKey | BZTGYWFOKJWBPU-UHFFFAOYSA-N |
| Mol Weight | 304.23 g/mol |
| Molecular Formula | C16H18BrN |
| Exact Mass | 303.062263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2HRLnGCAOkG |
|---|---|
| Name | 2-(4-Bromophenyl)-5-pentyl-pyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.062262584 u |
| Formula | C16H18BrN |
| InChI | InChI=1S/C16H18BrN/c1-2-3-4-5-13-6-11-16(18-12-13)14-7-9-15(17)10-8-14/h6-12H,2-5H2,1H3 |
| InChIKey | BZTGYWFOKJWBPU-UHFFFAOYSA-N |
| Molecular Weight | 304.231 g/mol |
| SMILES | C=1(N=CC(=CC1)CCCCC)C=1C=CC(=CC1)Br |