| SpectraBase Compound ID | 7VKpXjEtZJa |
|---|---|
| InChI | InChI=1S/C12H20O3S2/c1-4-15-11(13)12(3,14)9(2)8-10-16-6-5-7-17-10/h8-9,14H,4-7H2,1-3H3 |
| InChIKey | CHVIGAODUNWANY-UHFFFAOYSA-N |
| Mol Weight | 276.41 g/mol |
| Molecular Formula | C12H20O3S2 |
| Exact Mass | 276.085387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1YgNrI3BSgs |
|---|---|
| Name | 4-(1,3-Dithian-2-ylidene)-2-hydroxy-2,3-dimethylbutanoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.085386849 u |
| Formula | C12H20O3S2 |
| InChI | InChI=1S/C12H20O3S2/c1-4-15-11(13)12(3,14)9(2)8-10-16-6-5-7-17-10/h8-9,14H,4-7H2,1-3H3 |
| InChIKey | CHVIGAODUNWANY-UHFFFAOYSA-N |
| SMILES | C1(=CC(C(C(=O)OCC)(O)C)C)SCCCS1 |