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(1'R*,4S)-(2'-Oxocyclohexanecarbonyl)-4-benzylthiazolidin-2-thione
SpectraBase Compound ID 2ai4KHVscIT
InChI InChI=1S/C17H19NO2S2/c19-15-9-5-4-8-14(15)16(20)18-13(11-22-17(18)21)10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2/t13-,14?/m0/s1
InChIKey ZXQCSYJVCGGNRP-LSLKUGRBSA-N
Mol Weight 333.46 g/mol
Molecular Formula C17H19NO2S2
Exact Mass 333.085721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vF5uJ9Z5J8
Name (1'R*,4S)-(2'-Oxocyclohexanecarbonyl)-4-benzylthiazolidin-2-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO2S2
InChI InChI=1S/C17H19NO2S2/c19-15-9-5-4-8-14(15)16(20)18-13(11-22-17(18)21)10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2/t13-,14?/m0/s1
InChIKey ZXQCSYJVCGGNRP-LSLKUGRBSA-N
Literature Reference DOI 10.1016/j.tet.2015.02.083
Molecular Weight 333.464 g/mol
SMILES C1(SC[C@@](N1C(=O)C1C(CCCC1)=O)(Cc1ccccc1)[H])=S
SPLASH splash10-014i-3932000000-47c5a6d00660996e7bac
Source of Spectrum F-71-2218-27a,b
Synonyms 2-((S)-4-benzyl-2-thioxothiazolidine-3-carbonyl)cyclohexan-1-one
Wiley ID 1802939