| SpectraBase Compound ID | 3H0nJCkGzoD |
|---|---|
| InChI | InChI=1S/C8H7ClN4/c9-8-2-1-7(3-11-8)4-13-6-10-5-12-13/h1-3,5-6H,4H2 |
| InChIKey | XLIYFSLQBRKSNS-UHFFFAOYSA-N |
| Mol Weight | 194.62 g/mol |
| Molecular Formula | C8H7ClN4 |
| Exact Mass | 194.035924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EdErpooT63h |
|---|---|
| Name | 5-((1H-1,2,4-Triazol-1-yl)methyl)-2-chloropyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.035923941 u |
| Formula | C8H7ClN4 |
| InChI | InChI=1S/C8H7ClN4/c9-8-2-1-7(3-11-8)4-13-6-10-5-12-13/h1-3,5-6H,4H2 |
| InChIKey | XLIYFSLQBRKSNS-UHFFFAOYSA-N |
| Molecular Weight | 194.625 g/mol |
| SMILES | C=1(Cl)C=CC(CN2C=NC=N2)=CN1 |