| SpectraBase Compound ID | 8AthbtKbUHx |
|---|---|
| InChI | InChI=1S/C12H8ClN3/c13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h1-7H,(H,15,16) |
| InChIKey | AIASBFLKLNIZOK-UHFFFAOYSA-N |
| Mol Weight | 229.67 g/mol |
| Molecular Formula | C12H8ClN3 |
| Exact Mass | 229.040675 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1rd8tDTFlZ5 |
|---|---|
| Name | 6-Chloro-2-(pyridin-2-yl)-1H-1,3-benzodiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.040674970 u |
| Formula | C12H8ClN3 |
| InChI | InChI=1S/C12H8ClN3/c13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h1-7H,(H,15,16) |
| InChIKey | AIASBFLKLNIZOK-UHFFFAOYSA-N |
| Molecular Weight | 229.670 g/mol |
| SMILES | C1(=NC2=CC=C(C=C2N1)Cl)C1=NC=CC=C1 |