![(E)-Thiocarbonic acid-o-ethyl-S-[2-(p-tolyl)ethenyl]-diester](/api/spectrum/I1GZ7UEeJAO/structure.png?h=300&w=458 "(E)-Thiocarbonic acid-o-ethyl-S-[2-(p-tolyl)ethenyl]-diester")
| SpectraBase Compound ID | Ioo8irebL98 |
|---|---|
| InChI | InChI=1S/C12H14O2S/c1-3-14-12(13)15-9-8-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3/b9-8+ |
| InChIKey | BULDIWBQTSEUDF-CMDGGOBGSA-N |
| Mol Weight | 222.3 g/mol |
| Molecular Formula | C12H14O2S |
| Exact Mass | 222.071451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I1GZ7UEeJAO |
|---|---|
| Name | (E)-Thiocarbonic acid-o-ethyl-S-[2-(p-tolyl)ethenyl]-diester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.071450863 u |
| Formula | C12H14O2S |
| InChI | InChI=1S/C12H14O2S/c1-3-14-12(13)15-9-8-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3/b9-8+ |
| InChIKey | BULDIWBQTSEUDF-CMDGGOBGSA-N |
| Molecular Weight | 222.302 g/mol |
| SMILES | C1(\C=C\SC(=O)OCC)=CC=C(C=C1)C |