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3-ALLYL-2,3-DIHYDRO-4H-THIIN-4-ONE-1,1-DIOXIDE
SpectraBase Compound ID 9rv3wrW8Dmd
InChI InChI=1S/C8H10O3S/c1-2-3-7-6-12(10,11)5-4-8(7)9/h2,4-5,7H,1,3,6H2
InChIKey MFYAJFMWUSHTIJ-UHFFFAOYSA-N
Mol Weight 186.22 g/mol
Molecular Formula C8H10O3S
Exact Mass 186.035065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ICWmOlHwhGi
Name 3-ALLYL-2,3-DIHYDRO-4H-THIIN-4-ONE-1,1-DIOXIDE
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H10O3S
InChI InChI=1S/C8H10O3S/c1-2-3-7-6-12(10,11)5-4-8(7)9/h2,4-5,7H,1,3,6H2
InChIKey MFYAJFMWUSHTIJ-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 186.226 g/mol
Solvent CDCl3
Source File Reference UWRU3415