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(2R,3R)-N-Tolylsulfonyl-2-(isobutyl)-3-(phenylthio)pyrrolidine
SpectraBase Compound ID BdLqLlHCgx5
InChI InChI=1S/C21H27NO2S2/c1-16(2)15-20-21(25-18-7-5-4-6-8-18)13-14-22(20)26(23,24)19-11-9-17(3)10-12-19/h4-12,16,20-21H,13-15H2,1-3H3/t20-,21-/m1/s1
InChIKey PMPYGIIZTKMMDT-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 BJUPoOS7sFH
Name (2R,3R)-N-Tolylsulfonyl-2-(isobutyl)-3-(phenylthio)pyrrolidine
Alternate Name(s) (2R,3R)-2-isobutyl-1-[(4-methylphenyl)sulfonyl]-3-(phenylsulfanyl)pyrrolidine (2R,3R)-2-isobutyl-1-[(4-methylphenyl)sulfonyl]pyrrolidinyl phenyl sulfide (2RS,3SR)-and(2RS,3RS)-N-Tolylsulfonyl-2-(isobutyl)-3-(phenylthio)pyrrolidine (3RS,4SR)-and(3RS,4RS)-N-Tolylsulfonyl-2-(isobutyl)-3-(phenylthio)pyrrolidine
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Formula C21H27NO2S2
InChI InChI=1S/C21H27NO2S2/c1-16(2)15-20-21(25-18-7-5-4-6-8-18)13-14-22(20)26(23,24)19-11-9-17(3)10-12-19/h4-12,16,20-21H,13-15H2,1-3H3/t20-,21-/m1/s1
InChIKey PMPYGIIZTKMMDT-NHCUHLMSSA-N
Molecular Weight 389.572 g/mol
SMILES [C@]1(N(S(c2ccc(cc2)C)(=O)=O)CC[C@]1(Sc1ccccc1)[H])(CC(C)C)[H]
SPLASH splash10-001m-9207000000-14c7d9b248cde688e39f
Source of Spectrum KC-1993-1653-53
Wiley ID 778299