| SpectraBase Compound ID | ERU5LFgirBg |
|---|---|
| InChI | InChI=1S/C11H16N4S/c1-8(2)13-11(16)15-14-9(3)10-4-6-12-7-5-10/h4-8H,1-3H3,(H2,13,15,16)/b14-9+ |
| InChIKey | UPNHTMWWNDZIJA-NTEUORMPSA-N |
| Mol Weight | 236.34 g/mol |
| Molecular Formula | C11H16N4S |
| Exact Mass | 236.109568 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ji7oMaeSsE1 |
|---|---|
| Name | Methyl 4-pyridyl ketone 4-isopropyl-3-thiosemicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.109567705 u |
| Formula | C11H16N4S |
| InChI | InChI=1S/C11H16N4S/c1-8(2)13-11(16)15-14-9(3)10-4-6-12-7-5-10/h4-8H,1-3H3,(H2,13,15,16)/b14-9+ |
| InChIKey | UPNHTMWWNDZIJA-NTEUORMPSA-N |
| Molecular Weight | 236.337 g/mol |
| SMILES | C1=C(C=CN=C1)\C(=N\NC(NC(C)C)=S)C |