| SpectraBase Compound ID | HZorcEKc370 |
|---|---|
| InChI | InChI=1S/C13H10Cl2N4S/c14-9-4-5-11(15)12(7-9)18-13(20)19-17-8-10-3-1-2-6-16-10/h1-8H,(H2,18,19,20)/b17-8+ |
| InChIKey | IHQIBFKYOOVIKJ-CAOOACKPSA-N |
| Mol Weight | 325.22 g/mol |
| Molecular Formula | C13H10Cl2N4S |
| Exact Mass | 324.000323 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FrqhxSu4mS5 |
|---|---|
| Name | Picolinaldehyde, 4-(2,5-dichlorophenyl)-3-thiosemicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.000322912 u |
| Formula | C13H10Cl2N4S |
| InChI | InChI=1S/C13H10Cl2N4S/c14-9-4-5-11(15)12(7-9)18-13(20)19-17-8-10-3-1-2-6-16-10/h1-8H,(H2,18,19,20)/b17-8+ |
| InChIKey | IHQIBFKYOOVIKJ-CAOOACKPSA-N |
| Molecular Weight | 325.217 g/mol |
| SMILES | N(\N=C\C1=CC=CC=N1)C(NC=1C=C(C=CC1Cl)Cl)=S |