| SpectraBase Compound ID | 2EHy1Y5THl9 |
|---|---|
| InChI | InChI=1S/C11H7NO4S/c13-10-9(17-11(14)12-10)4-6-1-2-7-8(3-6)16-5-15-7/h1-4H,5H2,(H,12,13,14)/b9-4- |
| InChIKey | SDGWAUUPHUBJNQ-WTKPLQERSA-N |
| Mol Weight | 249.24 g/mol |
| Molecular Formula | C11H7NO4S |
| Exact Mass | 249.009579 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HAAlJKYKzC2 |
|---|---|
| Name | 5-Piperonylidene-2,4-thiazolidinedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.009578879 u |
| Formula | C11H7NO4S |
| InChI | InChI=1S/C11H7NO4S/c13-10-9(17-11(14)12-10)4-6-1-2-7-8(3-6)16-5-15-7/h1-4H,5H2,(H,12,13,14)/b9-4- |
| InChIKey | SDGWAUUPHUBJNQ-WTKPLQERSA-N |
| Molecular Weight | 249.240 g/mol |
| SMILES | C1=C(\C=C\2SC(=O)NC2=O)C=CC2=C1OCO2 |