| SpectraBase Compound ID | BFWhkRmmtMY |
|---|---|
| InChI | InChI=1S/C12H12N2O2S/c1-7-2-4-8(5-3-7)9(15)6-10-11(16)14-12(13)17-10/h2-5,10H,6H2,1H3,(H2,13,14,16) |
| InChIKey | KOXDYSVAKRHPQT-UHFFFAOYSA-N |
| Mol Weight | 248.3 g/mol |
| Molecular Formula | C12H12N2O2S |
| Exact Mass | 248.061949 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2S0MvqqTERa |
|---|---|
| Name | 2-Imino-5-(2-oxo-2-p-tolyl-ethyl)-thiazolidin-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.061948806 u |
| Formula | C12H12N2O2S |
| InChI | InChI=1S/C12H12N2O2S/c1-7-2-4-8(5-3-7)9(15)6-10-11(16)14-12(13)17-10/h2-5,10H,6H2,1H3,(H2,13,14,16) |
| InChIKey | KOXDYSVAKRHPQT-UHFFFAOYSA-N |
| Molecular Weight | 248.300 g/mol |
| SMILES | CC1=CC=C(C=C1)C(CC1SC(NC1=O)=N)=O |