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2-Benzyl-6-(t-butyl)-2-(methylsulfonyl)cyclohexanone
SpectraBase Compound ID AdmEys2BX6Y
InChI InChI=1S/C18H26O3S/c1-17(2,3)15-11-8-12-18(16(15)19,22(4,20)21)13-14-9-6-5-7-10-14/h5-7,9-10,15H,8,11-13H2,1-4H3
InChIKey PIBLGYUNEOABJW-UHFFFAOYSA-N
Mol Weight 322.46 g/mol
Molecular Formula C18H26O3S
Exact Mass 322.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7BNO2tol3HD
Name 2-Benzyl-6-(t-butyl)-2-(methylsulfonyl)cyclohexanone
Alternate Name(s) 2-Benzyl-6-(t-butyl)-2-(methylsulfonyl)-1-cyclohexanone 2-Benzyl-6-tert-butyl-2-(methylsulfonyl)cyclohexanone
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Formula C18H26O3S
InChI InChI=1S/C18H26O3S/c1-17(2,3)15-11-8-12-18(16(15)19,22(4,20)21)13-14-9-6-5-7-10-14/h5-7,9-10,15H,8,11-13H2,1-4H3
InChIKey PIBLGYUNEOABJW-UHFFFAOYSA-N
Molecular Weight 322.463 g/mol
SMILES C1(S(=O)(=O)C)(C(C(C(C)(C)C)CCC1)=O)Cc1ccccc1
SPLASH splash10-052f-9120000000-bdbc921681e08dcbf67f
Source of Spectrum Y4-88-599-7
Wiley ID 1550281