| SpectraBase Compound ID | Dx644EmysPx |
|---|---|
| InChI | InChI=1S/C14H20N4S/c1-11(13-9-5-6-10-15-13)17-18-14(19)16-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H2,16,18,19)/b17-11- |
| InChIKey | NHLSZYPMCMMCMK-BOPFTXTBSA-N |
| Mol Weight | 276.4 g/mol |
| Molecular Formula | C14H20N4S |
| Exact Mass | 276.140868 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7GZHw3qj8Mx |
|---|---|
| Name | Methyl 2-pyridyl ketone 4-cyclohexylthiosemicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.140867834 u |
| Formula | C14H20N4S |
| InChI | InChI=1S/C14H20N4S/c1-11(13-9-5-6-10-15-13)17-18-14(19)16-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H2,16,18,19)/b17-11- |
| InChIKey | NHLSZYPMCMMCMK-BOPFTXTBSA-N |
| SMILES | C\C(=N\NC(=S)NC1CCCCC1)C1=CC=CC=N1 |