| SpectraBase Compound ID | LqH2bBDm0XA |
|---|---|
| InChI | InChI=1S/C8H8N4O2S/c9-8(15)11-10-5-6-3-1-2-4-7(6)12(13)14/h1-5H,(H3,9,11,15)/b10-5+ |
| InChIKey | JPGHPSUGYJSANW-BJMVGYQFSA-N |
| Mol Weight | 224.24 g/mol |
| Molecular Formula | C8H8N4O2S |
| Exact Mass | 224.036797 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KRyLSVZgzyH |
|---|---|
| Name | 1-(o-Nitrobenzylidene)-3-thiosemicarbazide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.036796686 u |
| Formula | C8H8N4O2S |
| InChI | InChI=1S/C8H8N4O2S/c9-8(15)11-10-5-6-3-1-2-4-7(6)12(13)14/h1-5H,(H3,9,11,15)/b10-5+ |
| InChIKey | JPGHPSUGYJSANW-BJMVGYQFSA-N |
| SMILES | N(=O)(=O)C=1C(\C=N\NC(N)=S)=CC=CC1 |