| SpectraBase Compound ID | 2DJMasAhB9e |
|---|---|
| InChI | InChI=1S/C12H18N4S/c1-9(2)8-14-12(17)16-15-10(3)11-4-6-13-7-5-11/h4-7,9H,8H2,1-3H3,(H2,14,16,17)/b15-10+ |
| InChIKey | WXWUJTHMDLNSSD-XNTDXEJSSA-N |
| Mol Weight | 250.36 g/mol |
| Molecular Formula | C12H18N4S |
| Exact Mass | 250.125218 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LNMEorn3WDW |
|---|---|
| Name | Methyl 4-pyridyl ketone 4-isobutylthiosemicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.125217770 u |
| Formula | C12H18N4S |
| InChI | InChI=1S/C12H18N4S/c1-9(2)8-14-12(17)16-15-10(3)11-4-6-13-7-5-11/h4-7,9H,8H2,1-3H3,(H2,14,16,17)/b15-10+ |
| InChIKey | WXWUJTHMDLNSSD-XNTDXEJSSA-N |
| Molecular Weight | 250.364 g/mol |
| SMILES | C1(=CC=NC=C1)\C(=N\NC(NCC(C)C)=S)C |