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(1'R*,2'E,3R*,4R*)-3-TERT.-BUTOXY-4-[1'-(TERT.-BUTYLTHIO)-OCT-2'-ENYL]-CYCLOPENTANONE
SpectraBase Compound ID 8KOkxEmh7gU
InChI InChI=1S/C21H38O2S/c1-8-9-10-11-12-13-19(24-21(5,6)7)17-14-16(22)15-18(17)23-20(2,3)4/h12-13,17-19H,8-11,14-15H2,1-7H3/b13-12+
InChIKey AEYOVQUDJFBLER-OUKQBFOZSA-N
Mol Weight 354.6 g/mol
Molecular Formula C21H38O2S
Exact Mass 354.259252 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FBRdXT9UP4F
Name (1'R*,2'E,3S*,4S*)-3-TERT.-BUTOXY-4-[1'-(TERT.-BUTYLTHIO)-OCT-2'-ENYL]-CYCLOPENTANONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H38O2S
InChI InChI=1S/C21H38O2S/c1-8-9-10-11-12-13-19(24-21(5,6)7)17-14-16(22)15-18(17)23-20(2,3)4/h12-13,17-19H,8-11,14-15H2,1-7H3/b13-12+
InChIKey AEYOVQUDJFBLER-OUKQBFOZSA-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 354.592 g/mol
Solvent CDCl3
Source File Reference UWWR688