| SpectraBase Compound ID | 6hdjHs65SD0 |
|---|---|
| InChI | InChI=1S/C9H12N4S/c1-7(12-13-9(14)10-2)8-3-5-11-6-4-8/h3-6H,1-2H3,(H2,10,13,14)/b12-7+ |
| InChIKey | WLOMPZXHELTQJM-KPKJPENVSA-N |
| Mol Weight | 208.28 g/mol |
| Molecular Formula | C9H12N4S |
| Exact Mass | 208.078268 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 24zNWRUdcd5 |
|---|---|
| Name | Methyl 4-pyridyl ketone 4-methyl-3-thiosemicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.078267576 u |
| Formula | C9H12N4S |
| InChI | InChI=1S/C9H12N4S/c1-7(12-13-9(14)10-2)8-3-5-11-6-4-8/h3-6H,1-2H3,(H2,10,13,14)/b12-7+ |
| InChIKey | WLOMPZXHELTQJM-KPKJPENVSA-N |
| SMILES | C1=C(C=CN=C1)\C(=N\NC(NC)=S)C |