| SpectraBase Compound ID | KjrzWusDiFK |
|---|---|
| InChI | InChI=1S/C13H18N4S/c18-13(16-12-4-2-1-3-5-12)17-15-10-11-6-8-14-9-7-11/h6-10,12H,1-5H2,(H2,16,17,18)/b15-10+ |
| InChIKey | DPYFFVJPRXYGNY-XNTDXEJSSA-N |
| Mol Weight | 262.38 g/mol |
| Molecular Formula | C13H18N4S |
| Exact Mass | 262.125218 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HDue0zIvNq0 |
|---|---|
| Name | Isonicotinaldehyde 4-cyclohexylthiosemicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.125217770 u |
| Formula | C13H18N4S |
| InChI | InChI=1S/C13H18N4S/c18-13(16-12-4-2-1-3-5-12)17-15-10-11-6-8-14-9-7-11/h6-10,12H,1-5H2,(H2,16,17,18)/b15-10+ |
| InChIKey | DPYFFVJPRXYGNY-XNTDXEJSSA-N |
| SMILES | C1=C(C=CN=C1)\C=N\NC(NC1CCCCC1)=S |