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4-OXA-9-THIATRICYCLO-[5.3.0.0-(2.6)]-DECANE_9,9-DIOXIDE
SpectraBase Compound ID 8nMn5M860tU
InChI InChI=1S/C8H12O3S/c9-12(10)3-7-5-1-11-2-6(5)8(7)4-12/h5-8H,1-4H2
InChIKey OWFSAULXKVRUSR-UHFFFAOYSA-N
Mol Weight 188.24 g/mol
Molecular Formula C8H12O3S
Exact Mass 188.050715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BsbPzYXOozZ
Name 4-OXA-9-THIATRICYCLO-[5.3.0.0-(2.6)]-DECANE_9,9-DIOXIDE
Compound Number 33
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12O3S
InChI InChI=1S/C8H12O3S/c9-12(10)3-7-5-1-11-2-6(5)8(7)4-12/h5-8H,1-4H2
InChIKey OWFSAULXKVRUSR-UHFFFAOYSA-N
Literature Reference Author R.A.AITKEN,J.I.G.CADOGAN,I.GOSNEY,C.M.HUMPHRIES,L.M.MCLAUGHL IN,S.J.WYSE
Literature Reference Citation J.CHEM.SOC.PERKIN-1,605(1999)
Literature Reference DOI 10.1039/a809326a
Molecular Weight 188.241 g/mol
Solvent CDCl3
Source File Reference UWMZ11412