| SpectraBase Compound ID | 7ZXgsQTttdm |
|---|---|
| InChI | InChI=1S/C11H16N4S/c1-9(2)7-13-11(16)15-14-8-10-3-5-12-6-4-10/h3-6,8-9H,7H2,1-2H3,(H2,13,15,16)/b14-8+ |
| InChIKey | GWYHBBSOKQEKRU-RIYZIHGNSA-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 | Dmh5EuQglgy |
|---|---|
| Name | Isonicotinaldehyde 4-isobutylthiosemicarbazone |
| 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/c1-9(2)7-13-11(16)15-14-8-10-3-5-12-6-4-10/h3-6,8-9H,7H2,1-2H3,(H2,13,15,16)/b14-8+ |
| InChIKey | GWYHBBSOKQEKRU-RIYZIHGNSA-N |
| Molecular Weight | 236.337 g/mol |
| SMILES | C1=C(C=CN=C1)\C=N\NC(NCC(C)C)=S |