![3-[5-(3-Chlorophenyl)-1H-1,2,4-triazol-3-yl]pyridine](/api/spectrum/2sLnysok8MQ/structure.png?h=300&w=458 "3-[5-(3-Chlorophenyl)-1H-1,2,4-triazol-3-yl]pyridine")
| SpectraBase Compound ID | KNJIpc2G44y |
|---|---|
| InChI | InChI=1S/C13H9ClN4/c14-11-5-1-3-9(7-11)12-16-13(18-17-12)10-4-2-6-15-8-10/h1-8H,(H,16,17,18) |
| InChIKey | DNKDWZMLRDICNK-UHFFFAOYSA-N |
| Mol Weight | 256.7 g/mol |
| Molecular Formula | C13H9ClN4 |
| Exact Mass | 256.051574 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 | 2sLnysok8MQ |
|---|---|
| Name | 3-[5-(3-Chlorophenyl)-1H-1,2,4-triazol-3-yl]pyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.051574006 u |
| Formula | C13H9ClN4 |
| InChI | InChI=1S/C13H9ClN4/c14-11-5-1-3-9(7-11)12-16-13(18-17-12)10-4-2-6-15-8-10/h1-8H,(H,16,17,18) |
| InChIKey | DNKDWZMLRDICNK-UHFFFAOYSA-N |
| Molecular Weight | 256.696 g/mol |
| SMILES | C1=C(C=CC=C1C1=NC(C2=CN=CC=C2)=NN1)Cl |