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(1'R*,2'E,3R*,4R*)-3-TERT.-BUTOXY-4-[1'-(BENZOTHIAZOL-2''-YL-THIO)-OCT-2'-ENYL]-CYCLOPENTANONE
SpectraBase Compound ID DyTlAawYRIC
InChI InChI=1S/C24H33NO2S2/c1-5-6-7-8-9-13-21(18-15-17(26)16-20(18)27-24(2,3)4)28-23-25-19-12-10-11-14-22(19)29-23/h9-14,18,20-21H,5-8,15-16H2,1-4H3/b13-9+
InChIKey USWCKQCOLIAOCO-UKTHLTGXSA-N
Mol Weight 431.7 g/mol
Molecular Formula C24H33NO2S2
Exact Mass 431.195272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HPnbwSP44cP
Name (1'R*,2'E,3R*,4R*)-3-TERT.-BUTOXY-4-[1'-(BENZOTHIAZOL-2''-YL-THIO)-OCT-2'-ENYL]-CYCLOPENTANONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H33NO2S2
InChI InChI=1S/C24H33NO2S2/c1-5-6-7-8-9-13-21(18-15-17(26)16-20(18)27-24(2,3)4)28-23-25-19-12-10-11-14-22(19)29-23/h9-14,18,20-21H,5-8,15-16H2,1-4H3/b13-9+
InChIKey USWCKQCOLIAOCO-UKTHLTGXSA-N
Literature Reference Author M.R.BINNS,R.K.HAYNES
Literature Reference Citation AUSTR.J.CHEM.,40,937(1987)
Literature Reference DOI 10.1071/ch9870937
Molecular Weight 431.652 g/mol
Solvent CDCl3
Source File Reference UWWR693