| SpectraBase Compound ID | 3ZiJMLyrygz |
|---|---|
| InChI | InChI=1S/C8H7Cl2N3S/c9-6-2-1-5(3-7(6)10)4-12-13-8(11)14/h1-4H,(H3,11,13,14)/b12-4+ |
| InChIKey | OMVGKAWQTXZISA-UUILKARUSA-N |
| Mol Weight | 248.13 g/mol |
| Molecular Formula | C8H7Cl2N3S |
| Exact Mass | 246.973774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ZGtjhV5rYt |
|---|---|
| Name | 3,4-Dichlorobenzaldehyde thiosemicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.973773811 u |
| Formula | C8H7Cl2N3S |
| InChI | InChI=1S/C8H7Cl2N3S/c9-6-2-1-5(3-7(6)10)4-12-13-8(11)14/h1-4H,(H3,11,13,14)/b12-4+ |
| InChIKey | OMVGKAWQTXZISA-UUILKARUSA-N |
| Molecular Weight | 248.131 g/mol |
| SMILES | C(=S)(N)N\N=C\C=1C=CC(=C(Cl)C1)Cl |