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(2S,3R,5S)-3-BENZENESULFINYL-5-ISOPROPENYL-2-METHYLCYCLOHEXANONE
SpectraBase Compound ID 3kiHzKf7yjw
InChI InChI=1S/C16H20O2S/c1-11(2)13-9-15(17)12(3)16(10-13)19(18)14-7-5-4-6-8-14/h4-8,12-13,16H,1,9-10H2,2-3H3/t12-,13-,16-,19?/m0/s1
InChIKey ZPKHTGKSTPUACY-VSKHPFIXSA-N
Mol Weight 276.39 g/mol
Molecular Formula C16H20O2S
Exact Mass 276.118401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C2tFDWqxEjx
Name (2S,3R,5S)-3-BENZENESULFINYL-5-ISOPROPENYL-2-METHYLCYCLOHEXANONE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20O2S
InChI InChI=1S/C16H20O2S/c1-11(2)13-9-15(17)12(3)16(10-13)19(18)14-7-5-4-6-8-14/h4-8,12-13,16H,1,9-10H2,2-3H3/t12-,13-,16-,19?/m0/s1
InChIKey ZPKHTGKSTPUACY-VSKHPFIXSA-N
Literature Reference Author M.AMONGERO,D.VISNOVEZKY,T.S.KAUFMAN
Literature Reference Citation J.BRAZ.CHEM.SOC.,21,1017(2010)
Literature Reference DOI 10.1590/s0103-50532010000600011
Molecular Weight 276.394 g/mol
Source File Reference UWBT5902