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(1.alpha.)-2.alpha.-Methyl-2.beta.-(1.beta.-methyl-2.alpha.-methylsulfonyloxymethylcyclopenty)cyclohexyl benzoate
SpectraBase Compound ID AzOZ40JKZ0B
InChI InChI=1S/C22H32O5S/c1-21(15-9-12-18(21)16-26-28(3,24)25)22(2)14-8-7-13-19(22)27-20(23)17-10-5-4-6-11-17/h4-6,10-11,18-19H,7-9,12-16H2,1-3H3/t18-,19-,21-,22-/m0/s1
InChIKey QKVKNOMQLZXVRX-LGGPRVQUSA-N
Mol Weight 408.6 g/mol
Molecular Formula C22H32O5S
Exact Mass 408.197045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8f6RTBNyj1M
Name (1.alpha.)-2.alpha.-Methyl-2.beta.-(1.beta.-methyl-2.alpha.-methylsulfonyloxymethylcyclopenty)cyclohexyl benzoate
Alternate Name(s) (1S,2R)-2-methyl-2-((1S,2R)-1-methyl-2-{[(methylsulfonyl)oxy]methyl}cyclopentyl)cyclohexyl benzoate benzoic acid[(1S,2R)-2-methyl-2-[(1S,2R)-1-methyl-2-(methylsulfonyloxymethyl)cyclopentyl]cyclohexyl]ester [(1S,2R)-2-methyl-2-[(1S,2R)-1-methyl-2-(methylsulfonyloxymethyl)cyclopentyl]cyclohexyl] benzoate
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Formula C22H32O5S
InChI InChI=1S/C22H32O5S/c1-21(15-9-12-18(21)16-26-28(3,24)25)22(2)14-8-7-13-19(22)27-20(23)17-10-5-4-6-11-17/h4-6,10-11,18-19H,7-9,12-16H2,1-3H3/t18-,19-,21-,22-/m0/s1
InChIKey QKVKNOMQLZXVRX-LGGPRVQUSA-N
Molecular Weight 408.553 g/mol
SMILES C(OS(=O)(=O)C)[C@]1([C@@]([C@@]2([C@@](OC(=O)c3ccccc3)(CCCC2)[H])C)(CCC1)C)[H]
SPLASH splash10-0aou-0920000000-470e63d8017a7be2969f
Source of Spectrum KC-0-832-24
Wiley ID 785446