![2-[5-(4-Chlorophenyl)-1H-1,2,4-triazol-3-yl]pyrazine](/api/spectrum/GsfmrgKozAp/structure.png?h=300&w=458 "2-[5-(4-Chlorophenyl)-1H-1,2,4-triazol-3-yl]pyrazine")
| SpectraBase Compound ID | CVAbuCT5eJg |
|---|---|
| InChI | InChI=1S/C12H8ClN5/c13-9-3-1-8(2-4-9)11-16-12(18-17-11)10-7-14-5-6-15-10/h1-7H,(H,16,17,18) |
| InChIKey | CTVDDXOOCKAWLY-UHFFFAOYSA-N |
| Mol Weight | 257.68 g/mol |
| Molecular Formula | C12H8ClN5 |
| Exact Mass | 257.046823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GsfmrgKozAp |
|---|---|
| Name | 2-[5-(4-Chlorophenyl)-1H-1,2,4-triazol-3-yl]pyrazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.046822978 u |
| Formula | C12H8ClN5 |
| InChI | InChI=1S/C12H8ClN5/c13-9-3-1-8(2-4-9)11-16-12(18-17-11)10-7-14-5-6-15-10/h1-7H,(H,16,17,18) |
| InChIKey | CTVDDXOOCKAWLY-UHFFFAOYSA-N |
| Molecular Weight | 257.684 g/mol |
| SMILES | C1=NC=C(C=2N=C(C3=CC=C(C=C3)Cl)NN2)N=C1 |