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4-methyl-N-[(1R,2R)-2-(p-tolylmethylsulfanyl)cyclohexyl]benzenesulfonamide
SpectraBase Compound ID 73e4KrzBqNn
InChI InChI=1S/C21H27NO2S2/c1-16-7-11-18(12-8-16)15-25-21-6-4-3-5-20(21)22-26(23,24)19-13-9-17(2)10-14-19/h7-14,20-22H,3-6,15H2,1-2H3/t20-,21-/m1/s1
InChIKey NSLRUKGYPRFCRP-NHCUHLMSSA-N
Mol Weight 389.57 g/mol
Molecular Formula C21H27NO2S2
Exact Mass 389.148321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E95SuTnn9Tu
Name 4-methyl-N-[(1R,2R)-2-(p-tolylmethylsulfanyl)cyclohexyl]benzenesulfonamide
Alternate Name(s) 4-methyl-N-[(1R,2R)-2-[(4-methylbenzyl)thio]cyclohexyl]benzenesulfonamide 4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)methylsulfanyl]cyclohexyl]benzenesulfonamide 4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)methylthio]cyclohexyl]benzenesulfonamide
Comments Less than 3 mono-isotopic peaks
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Formula C21H27NO2S2
InChI InChI=1S/C21H27NO2S2/c1-16-7-11-18(12-8-16)15-25-21-6-4-3-5-20(21)22-26(23,24)19-13-9-17(2)10-14-19/h7-14,20-22H,3-6,15H2,1-2H3/t20-,21-/m1/s1
InChIKey NSLRUKGYPRFCRP-NHCUHLMSSA-N
Molecular Weight 389.572 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@]1([C@](SCc2ccc(cc2)C)(CCCC1)[H])[H]
SPLASH splash10-001i-0090000000-9c98c0996dce5d5e256d
Source of Spectrum J-68-729-5
Wiley ID 1536326