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2-(allylthio)-4-keto-6-(2,6,6-trimethyl-1-cyclohexenyl)-5,6-dihydrothiopyran-3-carbaldehyde
SpectraBase Compound ID D2OApyEJRxU
InChI InChI=1S/C18H24O2S2/c1-5-9-21-17-13(11-19)14(20)10-15(22-17)16-12(2)7-6-8-18(16,3)4/h5,11,15H,1,6-10H2,2-4H3
InChIKey CMCDAUQEXYBUHC-UHFFFAOYSA-N
Mol Weight 336.51 g/mol
Molecular Formula C18H24O2S2
Exact Mass 336.121772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D7BUOX4BQTN
Name 2-(allylthio)-4-keto-6-(2,6,6-trimethyl-1-cyclohexenyl)-5,6-dihydrothiopyran-3-carbaldehyde
Compound Number 1F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H24O2S2
InChI InChI=1S/C18H24O2S2/c1-5-9-21-17-13(11-19)14(20)10-15(22-17)16-12(2)7-6-8-18(16,3)4/h5,11,15H,1,6-10H2,2-4H3
InChIKey CMCDAUQEXYBUHC-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 336.507 g/mol
Solvent CDCl3
Source File Reference UWCP2043