| SpectraBase Compound ID | 2bs41DxaO3F |
|---|---|
| InChI | InChI=1S/C8H8ClN3O/c9-7-3-1-2-6(4-7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)/b11-5+ |
| InChIKey | GQRIEQGLICNJRB-VZUCSPMQSA-N |
| Mol Weight | 197.62 g/mol |
| Molecular Formula | C8H8ClN3O |
| Exact Mass | 197.03559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2wWPo6GCdlJ |
|---|---|
| Name | 3-Chlorobenzaldehyde semicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.035589589 u |
| Formula | C8H8ClN3O |
| InChI | InChI=1S/C8H8ClN3O/c9-7-3-1-2-6(4-7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)/b11-5+ |
| InChIKey | GQRIEQGLICNJRB-VZUCSPMQSA-N |
| Molecular Weight | 197.625 g/mol |
| SMILES | C1(Cl)=CC(\C=N\NC(N)=O)=CC=C1 |