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2-[(2,6-dichlorobenzyl)thio]-4-keto-6-(2,6,6-trimethyl-1-cyclohexenyl)-5,6-dihydrothiopyran-3-carbaldehyde

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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 LoF1MTRYHlC
Name 2H-THIOPYRAN-5-CARBOXALDEHYDE, 6-[[(2,6-DICHLOROPHENYL)METHYL]THIO]-3,4-DIHYDRO-4-OXO-2-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-
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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
Instrument Name BRUKER ARX-300
NMR Standard TMS
Solvent CDCl3