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4,4-Dimethyl-1-isopropyl-2-[((2,4,6-triisopropylphenyl)thio)methyl]cyclohexane
SpectraBase Compound ID 1xi7eIvWesA
InChI InChI=1S/C27H44S/c1-17(2)21-13-24(19(5)6)26(25(14-21)20(7)8)28-16-22-15-27(9,10)12-11-23(22)18(3)4/h13-14,17-20H,11-12,15-16H2,1-10H3
InChIKey DAGXWTQVLPJOIB-UHFFFAOYSA-N
Mol Weight 400.7 g/mol
Molecular Formula C27H44S
Exact Mass 400.316373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A6DOHl2E8fd
Name 4,4-Dimethyl-1-isopropyl-2-[((2,4,6-triisopropylphenyl)thio)methyl]cyclohexane
Alternate Name(s) 4,4-Dimethyl-1-isopropyl-2-[((2,4,6-triisopropylphenyl)thio)methyl]cyclohexene 2-[(5,5-dimethyl-2-propan-2-yl-1-cyclohexenyl)methylthio]-1,3,5-tri(propan-2-yl)benzene 2-[(5,5-dimethyl-2-propan-2-ylcyclohexen-1-yl)methylsulfanyl]-1,3,5-tri(propan-2-yl)benzene 1,3,5-triisopropyl-2-[(2-isopropyl-5,5-dimethyl-cyclohexen-1-yl)methylsulfanyl]benzene 2-[(5,5-dimethyl-2-propan-2-yl-cyclohexen-1-yl)methylsulfanyl]-1,3,5-tri(propan-2-yl)benzene
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Formula C27H44S
InChI InChI=1S/C27H44S/c1-17(2)21-13-24(19(5)6)26(25(14-21)20(7)8)28-16-22-15-27(9,10)12-11-23(22)18(3)4/h13-14,17-20H,11-12,15-16H2,1-10H3
InChIKey DAGXWTQVLPJOIB-UHFFFAOYSA-N
Molecular Weight 400.709 g/mol
SMILES c1(c(cc(cc1C(C)C)C(C)C)C(C)C)SCC1=C(CCC(C1)(C)C)C(C)C
SPLASH splash10-052s-2980000000-962024203f5ee82a8fe7
Source of Spectrum J-61-501-9
Wiley ID 1369754