![Methyl 4-pyridylketone 4-[2-pyridyl]-3-thiosemicarbazone](/api/spectrum/CCJbC9g1wrn/structure.png?h=300&w=458 "Methyl 4-pyridylketone 4-[2-pyridyl]-3-thiosemicarbazone")
| SpectraBase Compound ID | CtWAz6pgKrD |
|---|---|
| InChI | InChI=1S/C13H13N5S/c1-10(11-5-8-14-9-6-11)17-18-13(19)16-12-4-2-3-7-15-12/h2-9H,1H3,(H2,15,16,18,19)/b17-10+ |
| InChIKey | AKSHDYBWZNZCOX-LICLKQGHSA-N |
| Mol Weight | 271.34 g/mol |
| Molecular Formula | C13H13N5S |
| Exact Mass | 271.089167 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CCJbC9g1wrn |
|---|---|
| Name | Methyl 4-pyridylketone 4-[2-pyridyl]-3-thiosemicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.089166613 u |
| Formula | C13H13N5S |
| InChI | InChI=1S/C13H13N5S/c1-10(11-5-8-14-9-6-11)17-18-13(19)16-12-4-2-3-7-15-12/h2-9H,1H3,(H2,15,16,18,19)/b17-10+ |
| InChIKey | AKSHDYBWZNZCOX-LICLKQGHSA-N |
| SMILES | C1(\C(=N\NC(NC2=CC=CC=N2)=S)C)=CC=NC=C1 |