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cis-1-{2'-[(Tolu-4"-ylsulfonyl)methyl]cyclohexyl}pyrrolidine
SpectraBase Compound ID CjMeaZ6JOLw
InChI InChI=1S/C18H27NO2S/c1-15-8-10-17(11-9-15)22(20,21)14-16-6-2-3-7-18(16)19-12-4-5-13-19/h8-11,16,18H,2-7,12-14H2,1H3/t16-,18-/m1/s1
InChIKey NKIOCMSBGNXHHG-SJLPKXTDSA-N
Mol Weight 321.48 g/mol
Molecular Formula C18H27NO2S
Exact Mass 321.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LmPqS8LjtbW
Name cis-1-{2'-[(Tolu-4"-ylsulfonyl)methyl]cyclohexyl}pyrrolidine
Alternate Name(s) 1-((1R,2S)-2-{[(4-methylphenyl)sulfonyl]methyl}cyclohexyl)pyrrolidine 4-Methylphenyl[(1S,2R)-2-(1-pyrrolidinyl)cyclohexyl]methyl sulfone cis-1-{2'-[(Tolu-4''-ylsulfonyl)methyl]cyclohexyl}pyrrolidine
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Formula C18H27NO2S
InChI InChI=1S/C18H27NO2S/c1-15-8-10-17(11-9-15)22(20,21)14-16-6-2-3-7-18(16)19-12-4-5-13-19/h8-11,16,18H,2-7,12-14H2,1H3/t16-,18-/m1/s1
InChIKey NKIOCMSBGNXHHG-SJLPKXTDSA-N
Molecular Weight 321.479 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)[C@@]1([C@](N2CCCC2)(CCCC1)[H])[H]
SPLASH splash10-014i-4900000000-3c1e23a5b91f9340d2d8
Source of Spectrum H-76-2483-13
Wiley ID 1320936