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[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]methyl 4-methylbenzenesulfonate
SpectraBase Compound ID Dyv2skO8nIA
InChI InChI=1S/C20H25NO5S2/c1-16-6-10-19(11-7-16)27(22,23)21-14-4-3-5-18(21)15-26-28(24,25)20-12-8-17(2)9-13-20/h6-13,18H,3-5,14-15H2,1-2H3/t18-/m1/s1
InChIKey JOQNCTBUGYMXIM-GOSISDBHSA-N
Mol Weight 423.54 g/mol
Molecular Formula C20H25NO5S2
Exact Mass 423.117415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnXjjOV8DTg
Name [(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]methyl 4-methylbenzenesulfonate
Comments Less than 3 mono-isotopic peaks
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Formula C20H25NO5S2
InChI InChI=1S/C20H25NO5S2/c1-16-6-10-19(11-7-16)27(22,23)21-14-4-3-5-18(21)15-26-28(24,25)20-12-8-17(2)9-13-20/h6-13,18H,3-5,14-15H2,1-2H3/t18-/m1/s1
InChIKey JOQNCTBUGYMXIM-GOSISDBHSA-N
Molecular Weight 423.542 g/mol
SMILES [C@@]1(N(S(c2ccc(cc2)C)(=O)=O)CCCC1)(COS(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-000i-3090000000-e092e36d12a7a8a8ff06
Source of Spectrum KC-0-3680-22
Synonyms [(2R)-1-(p-tolylsulfonyl)-2-piperidyl]methyl 4-methylbenzenesulfonate 4-methylbenzenesulfonic acid [(2R)-1-(4-methylphenyl)sulfonyl-2-piperidinyl]methyl ester
Wiley ID 826982