| SpectraBase Compound ID | IXYLj1e15e4 |
|---|---|
| InChI | InChI=1S/C16H12BrN3/c17-11-12-5-3-7-15(19-12)16-9-4-8-14(20-16)13-6-1-2-10-18-13/h1-10H,11H2 |
| InChIKey | DORGBUZFNXRIDP-UHFFFAOYSA-N |
| Mol Weight | 326.2 g/mol |
| Molecular Formula | C16H12BrN3 |
| Exact Mass | 325.02146 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H4DtxkEdmei |
|---|---|
| Name | 6-(Bromomethyl)-2,2':6',2''-terpyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.021460398 u |
| Formula | C16H12BrN3 |
| InChI | InChI=1S/C16H12BrN3/c17-11-12-5-3-7-15(19-12)16-9-4-8-14(20-16)13-6-1-2-10-18-13/h1-10H,11H2 |
| InChIKey | DORGBUZFNXRIDP-UHFFFAOYSA-N |
| Molecular Weight | 326.197 g/mol |
| SMILES | C1(=NC(=CC=C1)C1=NC=CC=C1)C1=NC(CBr)=CC=C1 |