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(2S,3R,4R)-2-ethyl-1-(4-methoxyphenyl)-4-phenyl-3-(phenylthio)pyrrolidine
SpectraBase Compound ID I3TaIhTKF1u
InChI InChI=1S/C25H27NOS/c1-3-24-25(28-22-12-8-5-9-13-22)23(19-10-6-4-7-11-19)18-26(24)20-14-16-21(27-2)17-15-20/h4-17,23-25H,3,18H2,1-2H3/t23-,24-,25+/m0/s1
InChIKey USCIUFRBDDSEDI-CCDWMCETSA-N
Mol Weight 389.56 g/mol
Molecular Formula C25H27NOS
Exact Mass 389.181336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ElxbNYltZNT
Name (2S,3R,4R)-2-ethyl-1-(4-methoxyphenyl)-4-phenyl-3-(phenylthio)pyrrolidine
Comments Less than 3 mono-isotopic peaks
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Formula C25H27NOS
InChI InChI=1S/C25H27NOS/c1-3-24-25(28-22-12-8-5-9-13-22)23(19-10-6-4-7-11-19)18-26(24)20-14-16-21(27-2)17-15-20/h4-17,23-25H,3,18H2,1-2H3/t23-,24-,25+/m0/s1
InChIKey USCIUFRBDDSEDI-CCDWMCETSA-N
Molecular Weight 389.557 g/mol
SMILES [C@@]1(N(C[C@]([C@]1(Sc1ccccc1)[H])(c1ccccc1)[H])c1ccc(cc1)OC)(CC)[H]
SPLASH splash10-0udi-0096000000-c6650b39cb96ef0c4308
Source of Spectrum J-64-9603-15
Synonyms (2S,3R,4R)-2-ethyl-1-(4-methoxyphenyl)-4-phenyl-3-phenylsulfanylpyrrolidine
Wiley ID 1531850