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N-PARA-TOLYL-(SLUFONYL)-PIPERIDIN-2-YL-METHYL_TOLUENE-PARA-SULFONATE
SpectraBase Compound ID 7zLy9VzOLAa
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
InChIKey JOQNCTBUGYMXIM-UHFFFAOYSA-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 5M9Y6ETHiRj
Name 4-methylbenzenesulfonic acid (1-tosyl-2-piperidyl)methyl ester
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
InChIKey JOQNCTBUGYMXIM-UHFFFAOYSA-N
Molecular Weight 423.542 g/mol
SMILES C1(N(S(c2ccc(cc2)C)(=O)=O)CCCC1)COS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0006-9000000000-3cd48feb561377d39ea6
Source of Spectrum KC-0-2928-12
Synonyms [1-(4-methylphenyl)sulfonylpiperidin-2-yl]methyl 4-methylbenzenesulfonate [1-(p-tolylsulfonyl)-2-piperidyl]methyl 4-methylbenzenesulfonate
Wiley ID 786914