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(2S,3R,5S)-5-ISOPROPENYL-2-METHYL-3-PHENYL-SULFANYLCYCLOHEXANONE
SpectraBase Compound ID Iy46iWgPllU
InChI InChI=1S/C16H20OS/c1-11(2)13-9-15(17)12(3)16(10-13)18-14-7-5-4-6-8-14/h4-8,12-13,16H,1,9-10H2,2-3H3/t12-,13-,16+/m0/s1
InChIKey QREMKDNTSICFFJ-HEHGZKQESA-N
Mol Weight 260.39 g/mol
Molecular Formula C16H20OS
Exact Mass 260.123486 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ICl9T7nW1gB
Name (2S,3R,5S)-5-ISOPROPENYL-2-METHYL-3-(PHENYLTHIO)-CYCLOHEXANONE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20OS
InChI InChI=1S/C16H20OS/c1-11(2)13-9-15(17)12(3)16(10-13)18-14-7-5-4-6-8-14/h4-8,12-13,16H,1,9-10H2,2-3H3/t12-,13-,16+/m0/s1
InChIKey QREMKDNTSICFFJ-HEHGZKQESA-N
Literature Reference Author Q.A.R.D.ALMEIDA,M.L.D.O.PEREIRA,R.B.COELHO,E.M.D.CARVALHO,C. R.KAISER
Literature Reference Citation J.BRAZ.CHEM.SOC.,19,894(2008)
Literature Reference DOI 10.1590/s0103-50532008000500013
Molecular Weight 260.394 g/mol
Source File Reference UWIR5224