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3-BENZYL-2,3-DIHYDRO-4H-THIIN-4-ONE-1,1-DIOXIDE
SpectraBase Compound ID AaHF7FasjnJ
InChI InChI=1S/C12H12O3S/c13-12-6-7-16(14,15)9-11(12)8-10-4-2-1-3-5-10/h1-7,11H,8-9H2
InChIKey ZFASNDWQKLZCMI-UHFFFAOYSA-N
Mol Weight 236.28 g/mol
Molecular Formula C12H12O3S
Exact Mass 236.050715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9lBwnSukYAj
Name 3-BENZYL-2,3-DIHYDRO-4H-THIIN-4-ONE-1,1-DIOXIDE
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12O3S
InChI InChI=1S/C12H12O3S/c13-12-6-7-16(14,15)9-11(12)8-10-4-2-1-3-5-10/h1-7,11H,8-9H2
InChIKey ZFASNDWQKLZCMI-UHFFFAOYSA-N
Literature Reference Author S.M.JEFFERY,A.G.SUTHERLAND,S.M.PYKE,A.K.POWELL,R.J.K.TAYLOR
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2317(1993)
Literature Reference DOI 10.1039/p19930002317
Molecular Weight 236.285 g/mol
Solvent CDCl3
Source File Reference UWRU3414