| SpectraBase Compound ID | IAdiLOacy82 |
|---|---|
| InChI | InChI=1S/C11H9NO2S/c1-7-2-4-8(5-3-7)6-9-10(13)12-11(14)15-9/h2-6H,1H3,(H,12,13,14) |
| InChIKey | VUXDSWRSGDQYRJ-UHFFFAOYSA-N |
| Mol Weight | 219.26 g/mol |
| Molecular Formula | C11H9NO2S |
| Exact Mass | 219.0354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E8Csgse24kd |
|---|---|
| Name | 5-(p-Methylbenzylidene)-2,4-thiazolidinedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.035399706 u |
| Formula | C11H9NO2S |
| InChI | InChI=1S/C11H9NO2S/c1-7-2-4-8(5-3-7)6-9-10(13)12-11(14)15-9/h2-6H,1H3,(H,12,13,14) |
| InChIKey | VUXDSWRSGDQYRJ-UHFFFAOYSA-N |
| Molecular Weight | 219.258 g/mol |
| SMILES | N1C(SC(C1=O)=CC=1C=CC(C)=CC1)=O |