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(3RS,2' SR)-1-Benzyl-3-[1'-(p-nitrobenoyloxy)but-3'-en-2'-yl]-pyrrolidine-2-thione
SpectraBase Compound ID KrMR3cLkcSp
InChI InChI=1S/C22H22N2O4S/c1-2-17(15-28-22(25)18-8-10-19(11-9-18)24(26)27)20-12-13-23(21(20)29)14-16-6-4-3-5-7-16/h2-11,17,20H,1,12-15H2/t17-,20-/m1/s1
InChIKey TYCRQIPZKKVZON-YLJYHZDGSA-N
Mol Weight 410.49 g/mol
Molecular Formula C22H22N2O4S
Exact Mass 410.130028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lc6H8uJrihY
Name (3RS,2' SR)-1-Benzyl-3-[1'-(p-nitrobenoyloxy)but-3'-en-2'-yl]-pyrrolidine-2-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O4S
InChI InChI=1S/C22H22N2O4S/c1-2-17(15-28-22(25)18-8-10-19(11-9-18)24(26)27)20-12-13-23(21(20)29)14-16-6-4-3-5-7-16/h2-11,17,20H,1,12-15H2/t17-,20-/m1/s1
InChIKey TYCRQIPZKKVZON-YLJYHZDGSA-N
Molecular Weight 410.488 g/mol
SMILES C1(N(CC[C@@]1([C@@](COC(c1ccc(N(=O)=O)cc1)=O)(C=C)[H])[H])Cc1ccccc1)=S
SPLASH splash10-0006-3490000000-1049f0d1eb78d3e47ba8
Source of Spectrum F5-6-2946-19
Synonyms (S)-2-((R)-1-benzyl-2-thioxopyrrolidin-3-yl)but-3-en-1-yl 4-nitrobenzoate
Wiley ID 1733488