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(2R,4R,5S)-3,3-bis(methylsulfanyl)-4-nitro-2,5-diphenyl-pyrrolidine
SpectraBase Compound ID I8TtR0nZdya
InChI InChI=1S/C18H20N2O2S2/c1-23-18(24-2)16(14-11-7-4-8-12-14)19-15(17(18)20(21)22)13-9-5-3-6-10-13/h3-12,15-17,19H,1-2H3/t15-,16+,17+/m0/s1
InChIKey IBCJGUCUEQIEJT-GVDBMIGSSA-N
Mol Weight 360.49 g/mol
Molecular Formula C18H20N2O2S2
Exact Mass 360.09662 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Km0lVS0GnwV
Name (2R,4R,5S)-3,3-bis(methylsulfanyl)-4-nitro-2,5-diphenyl-pyrrolidine
CAS Registry Number 132058-83-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20N2O2S2
InChI InChI=1S/C18H20N2O2S2/c1-23-18(24-2)16(14-11-7-4-8-12-14)19-15(17(18)20(21)22)13-9-5-3-6-10-13/h3-12,15-17,19H,1-2H3/t15-,16+,17+/m0/s1
InChIKey IBCJGUCUEQIEJT-GVDBMIGSSA-N
Molecular Weight 360.490 g/mol
SMILES N1[C@]([C@](C([C@]1(c1ccccc1)[H])(SC)SC)(N(=O)=O)[H])(c1ccccc1)[H]
SPLASH splash10-014i-0091000000-5dbd6162845bf7f71827
Source of Spectrum F-46-6782-28
Synonyms (2R,4R,5S)-3,3-bis(methylthio)-4-nitro-2,5-diphenyl-pyrrolidine (2R,4R,5S)-3,3-bis(methylthio)-4-nitro-2,5-diphenylpyrrolidine
Wiley ID 1348195