| SpectraBase Compound ID | 2BKfvot6ODz |
|---|---|
| InChI | InChI=1S/C11H9N3O3S/c12-11(18)14-13-4-6-5-17-9-2-1-7(15)3-8(9)10(6)16/h1-5,15H,(H3,12,14,18)/b13-4+ |
| InChIKey | JVLHVDYXVOCPDL-YIXHJXPBSA-N |
| Mol Weight | 263.27 g/mol |
| Molecular Formula | C11H9N3O3S |
| Exact Mass | 263.036462 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4gLESsuSv2J |
|---|---|
| Name | 6-Hydroxy-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 | 263.036462333 u |
| Formula | C11H9N3O3S |
| InChI | InChI=1S/C11H9N3O3S/c12-11(18)14-13-4-6-5-17-9-2-1-7(15)3-8(9)10(6)16/h1-5,15H,(H3,12,14,18)/b13-4+ |
| InChIKey | JVLHVDYXVOCPDL-YIXHJXPBSA-N |
| SMILES | OC=1C=CC2=C(C(C(\C=N\NC(=S)N)=CO2)=O)C1 |