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trans-5-[2-(2,6-Dichlorophenylsulfanyl)cyclohexyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
SpectraBase Compound ID L2gT4cahRl9
InChI InChI=1S/C18H20Cl2O4S/c1-18(2)23-16(21)14(17(22)24-18)10-6-3-4-9-13(10)25-15-11(19)7-5-8-12(15)20/h5,7-8,10,13-14H,3-4,6,9H2,1-2H3/t10-,13-/m0/s1
InChIKey QSRNFMUXCWGEEB-GWCFXTLKSA-N
Mol Weight 403.32 g/mol
Molecular Formula C18H20Cl2O4S
Exact Mass 402.045936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tmrMtH5Iov
Name trans-5-[2-(2,6-Dichlorophenylsulfanyl)cyclohexyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
Alternate Name(s) 5-{(1R,2S)-2-[(2,6-dichlorophenyl)sulfanyl]cyclohexyl}-2,2-dimethyl-1,3-dioxane-4,6-dione
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Formula C18H20Cl2O4S
InChI InChI=1S/C18H20Cl2O4S/c1-18(2)23-16(21)14(17(22)24-18)10-6-3-4-9-13(10)25-15-11(19)7-5-8-12(15)20/h5,7-8,10,13-14H,3-4,6,9H2,1-2H3/t10-,13-/m0/s1
InChIKey QSRNFMUXCWGEEB-GWCFXTLKSA-N
Molecular Weight 403.320 g/mol
SMILES C1(C(C(=O)OC(O1)(C)C)[C@@]1([C@@](Sc2c(Cl)cccc2Cl)(CCCC1)[H])[H])=O
SPLASH splash10-0a4j-9820000000-e97c347a5a6ec7c4de65
Source of Spectrum KC-61-4378-6
Wiley ID 1628954