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4-keto-2-(methylthio)-6-(2,6,6-trimethyl-1-cyclohexenyl)-5,6-dihydrothiopyran-3-carbaldehyde
SpectraBase Compound ID GszOG4C5amj
InChI InChI=1S/C16H22O2S2/c1-10-6-5-7-16(2,3)14(10)13-8-12(18)11(9-17)15(19-4)20-13/h9,13H,5-8H2,1-4H3
InChIKey GSCWSYIXGMUJOZ-UHFFFAOYSA-N
Mol Weight 310.47 g/mol
Molecular Formula C16H22O2S2
Exact Mass 310.106122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CG52qsrtNk
Name 4-keto-2-(methylthio)-6-(2,6,6-trimethyl-1-cyclohexenyl)-5,6-dihydrothiopyran-3-carbaldehyde
Compound Number 1C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H22O2S2
InChI InChI=1S/C16H22O2S2/c1-10-6-5-7-16(2,3)14(10)13-8-12(18)11(9-17)15(19-4)20-13/h9,13H,5-8H2,1-4H3
InChIKey GSCWSYIXGMUJOZ-UHFFFAOYSA-N
Literature Reference Author E.KLEINPETER,M.HEYDENREICH,S.K.CHATTERJEE,W.D.RUDORF
Literature Reference Citation MAGN.RES.CHEM.,32,473(1994)
Literature Reference DOI 10.1002/mrc.1260320808
Molecular Weight 310.469 g/mol
Solvent CDCl3
Source File Reference UWCP2040