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(1R*,3R*,4S*)-Menthyl-1-benzyl-4-phenylpyrrolidin-2-thione-3-carboxylate
SpectraBase Compound ID 3f9Nl49qAaB
InChI InChI=1S/C28H35NO2S/c1-19(2)23-15-14-20(3)16-25(23)31-28(30)26-24(22-12-8-5-9-13-22)18-29(27(26)32)17-21-10-6-4-7-11-21/h4-13,19-20,23-26H,14-18H2,1-3H3/t20-,23+,24?,25-,26?/m1/s1
InChIKey BOIUACJBIMOBOI-JRBWTKHQSA-N
Mol Weight 449.7 g/mol
Molecular Formula C28H35NO2S
Exact Mass 449.238851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LT88ohIYAAh
Name (1R*,3R*,4S*)-Menthyl-1-benzyl-4-phenylpyrrolidin-2-thione-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H35NO2S
InChI InChI=1S/C28H35NO2S/c1-19(2)23-15-14-20(3)16-25(23)31-28(30)26-24(22-12-8-5-9-13-22)18-29(27(26)32)17-21-10-6-4-7-11-21/h4-13,19-20,23-26H,14-18H2,1-3H3/t20-,23+,24?,25-,26?/m1/s1
InChIKey BOIUACJBIMOBOI-JRBWTKHQSA-N
Molecular Weight 449.653 g/mol
SMILES C1(C(N(Cc2ccccc2)CC1c1ccccc1)=S)C(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O
SPLASH splash10-00lu-9501000000-8e3ff3a1ca6e8a11e998
Source of Spectrum QE-7-3541-9
Synonyms (1R*,3R*,4S*)-Menthyl (4S*,3R*)-1-benzyl-4-phenylpyrrolidin-2-thione-3-carboxylate (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 1-benzyl-4-phenyl-2-thioxo-3-pyrrolidinecarboxylate
Wiley ID 845671