| SpectraBase Compound ID | DUatJVc8YJo |
|---|---|
| InChI | InChI=1S/C16H12BrN3/c17-10-12-7-8-14(19-11-12)16-6-3-5-15(20-16)13-4-1-2-9-18-13/h1-9,11H,10H2 |
| InChIKey | YGGVXHZHZAKWDU-UHFFFAOYSA-N |
| Mol Weight | 326.2 g/mol |
| Molecular Formula | C16H12BrN3 |
| Exact Mass | 325.02146 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JQrSrQ80ZLR |
|---|---|
| Name | 5-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/c17-10-12-7-8-14(19-11-12)16-6-3-5-15(20-16)13-4-1-2-9-18-13/h1-9,11H,10H2 |
| InChIKey | YGGVXHZHZAKWDU-UHFFFAOYSA-N |
| Molecular Weight | 326.197 g/mol |
| SMILES | C1(=NC(=CC=C1)C1=NC=CC=C1)C1=NC=C(C=C1)CBr |