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(Ss,1R,2S,5R)-(-)-1-(2-Chlorophenylsulfinyloxy)-2-isopropyl-5-methylcyclohexane

View entire compound with spectra: 1 MS (GC)

(Ss,1R,2S,5R)-(-)-1-(2-Chlorophenylsulfinyloxy)-2-isopropyl-5-methylcyclohexane
SpectraBase Compound ID 78T4TCofVsJ
InChI InChI=1S/C16H23ClO2S/c1-11(2)13-9-8-12(3)10-15(13)19-20(18)16-7-5-4-6-14(16)17/h4-7,11-13,15H,8-10H2,1-3H3/t12-,13+,15-,20?/m1/s1
InChIKey YCSDZVDBIGPLIU-LMAJGJASSA-N
Mol Weight 314.87 g/mol
Molecular Formula C16H23ClO2S
Exact Mass 314.110729 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JA8cvPjbpo4
Name (Ss,1R,2S,5R)-(-)-1-(2-Chlorophenylsulfinyloxy)-2-isopropyl-5-methylcyclohexane
Alternate Name(s) (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 2-chlorobenzenesulfinate 2-Chlorobenzenesulfinic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-chlorobenzenesulfinate [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-chlorobenzenesulfinate [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-chloranylbenzenesulfinate
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Formula C16H23ClO2S
InChI InChI=1S/C16H23ClO2S/c1-11(2)13-9-8-12(3)10-15(13)19-20(18)16-7-5-4-6-14(16)17/h4-7,11-13,15H,8-10H2,1-3H3/t12-,13+,15-,20?/m1/s1
InChIKey YCSDZVDBIGPLIU-LMAJGJASSA-N
Molecular Weight 314.871 g/mol
SMILES c1([S@](O[C@]2([C@@](CC[C@](C2)(C)[H])(C(C)C)[H])[H])=O)c(Cl)cccc1
SPLASH splash10-00or-1903000000-5d2b7392309575c7a947
Source of Spectrum QC-10-1056-7
Wiley ID 871130