| SpectraBase Compound ID | 6wsgW3Dec3A |
|---|---|
| InChI | InChI=1S/C11H8ClN3O2S/c12-7-1-2-8-9(3-7)17-5-6(10(8)16)4-14-15-11(13)18/h1-5H,(H3,13,15,18)/b14-4+ |
| InChIKey | UNTSGUUTLJXADX-LNKIKWGQSA-N |
| Mol Weight | 281.72 g/mol |
| Molecular Formula | C11H8ClN3O2S |
| Exact Mass | 281.002575 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fk7A3fKSmAX |
|---|---|
| Name | 7-Chloro-4-oxo-4H-chromene-3-carbaldehyde thiosemicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.002575382 u |
| Formula | C11H8ClN3O2S |
| InChI | InChI=1S/C11H8ClN3O2S/c12-7-1-2-8-9(3-7)17-5-6(10(8)16)4-14-15-11(13)18/h1-5H,(H3,13,15,18)/b14-4+ |
| InChIKey | UNTSGUUTLJXADX-LNKIKWGQSA-N |
| SMILES | N(C(=S)N)\N=C\C=1C(C=2C=CC(=CC2OC1)Cl)=O |