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2-[(2,6-dichlorobenzyl)thio]-4-keto-6-(2,6,6-trimethyl-1-cyclohexenyl)-5,6-dihydrothiopyran-3-carbaldehyde
SpectraBase Compound ID BEo0mwlySNM
InChI InChI=1S/C22H24Cl2O2S2/c1-13-6-5-9-22(2,3)20(13)19-10-18(26)14(11-25)21(28-19)27-12-15-16(23)7-4-8-17(15)24/h4,7-8,11,19H,5-6,9-10,12H2,1-3H3
InChIKey PGJADGWPDWEXBP-UHFFFAOYSA-N
Mol Weight 455.46 g/mol
Molecular Formula C22H24Cl2O2S2
Exact Mass 454.059478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8UDuUTV2K2c
Name 2-[(2,6-dichlorobenzyl)thio]-4-keto-6-(2,6,6-trimethyl-1-cyclohexenyl)-5,6-dihydrothiopyran-3-carbaldehyde
Compound Number 1K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H24Cl2O2S2
InChI InChI=1S/C22H24Cl2O2S2/c1-13-6-5-9-22(2,3)20(13)19-10-18(26)14(11-25)21(28-19)27-12-15-16(23)7-4-8-17(15)24/h4,7-8,11,19H,5-6,9-10,12H2,1-3H3
InChIKey PGJADGWPDWEXBP-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 455.457 g/mol
Solvent CDCl3
Source File Reference UWCP2047