| SpectraBase Compound ID | DtanXNBxEj |
|---|---|
| InChI | InChI=1S/C12H10N4O2S2/c17-16(18)10-5-3-9(4-6-10)14-12(19)15-13-8-11-2-1-7-20-11/h1-8H,(H2,14,15,19)/b13-8+ |
| InChIKey | OUXWGTJOMOPSEK-MDWZMJQESA-N |
| Mol Weight | 306.36 g/mol |
| Molecular Formula | C12H10N4O2S2 |
| Exact Mass | 306.024518 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KVwZMOZrEy4 |
|---|---|
| Name | 2-Thiophenecarboxaldehyde, 4-(p-nitrophenyl)-3-thiosemicarbazide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.024517924 u |
| Formula | C12H10N4O2S2 |
| InChI | InChI=1S/C12H10N4O2S2/c17-16(18)10-5-3-9(4-6-10)14-12(19)15-13-8-11-2-1-7-20-11/h1-8H,(H2,14,15,19)/b13-8+ |
| InChIKey | OUXWGTJOMOPSEK-MDWZMJQESA-N |
| SMILES | N(C1=CC=C(C=C1)N(=O)=O)C(N\N=C\C1=CC=CS1)=S |