| SpectraBase Compound ID | DvZzJ6wBSc7 |
|---|---|
| InChI | InChI=1S/C8H7Cl2N3S/c9-6-2-1-5(7(10)3-6)4-12-13-8(11)14/h1-4H,(H3,11,13,14)/b12-4+ |
| InChIKey | RGHAHEATEPYSTR-UUILKARUSA-N |
| Mol Weight | 248.13 g/mol |
| Molecular Formula | C8H7Cl2N3S |
| Exact Mass | 246.973774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 763uWzGbzLH |
|---|---|
| Name | 1-(2,4-Dichlorobenzylidene)-3-thiosemicarbazide |
| 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(7(10)3-6)4-12-13-8(11)14/h1-4H,(H3,11,13,14)/b12-4+ |
| InChIKey | RGHAHEATEPYSTR-UUILKARUSA-N |
| Molecular Weight | 248.131 g/mol |
| SMILES | C(=S)(N\N=C\C1=C(C=C(Cl)C=C1)Cl)N |