| SpectraBase Compound ID | 4LWOQdFa6Os |
|---|---|
| InChI | InChI=1S/C18H16N2O2S/c1-13-7-9-15(10-8-13)19-12-20-17(21)16(23-18(20)22)11-14-5-3-2-4-6-14/h2-11,19H,12H2,1H3/b16-11+ |
| InChIKey | BSWDFFAEDGCCHJ-LFIBNONCSA-N |
| Mol Weight | 324.4 g/mol |
| Molecular Formula | C18H16N2O2S |
| Exact Mass | 324.093249 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GK7X7jglAMu |
|---|---|
| Name | 3-(4-Methylanilinomethyl)-5-benzylidene-2,4-thiazolidinedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.093248935 u |
| Formula | C18H16N2O2S |
| InChI | InChI=1S/C18H16N2O2S/c1-13-7-9-15(10-8-13)19-12-20-17(21)16(23-18(20)22)11-14-5-3-2-4-6-14/h2-11,19H,12H2,1H3/b16-11+ |
| InChIKey | BSWDFFAEDGCCHJ-LFIBNONCSA-N |
| SMILES | N(CN1C(\C(SC1=O)=C/c1ccccc1)=O)c1ccc(cc1)C |