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4-[2,2-BIS-(TRIFLUOROMETHYLSULFONYL)-ETHYL]-2,6-DIMETHYLHEPTANE-3,5-DIONE
SpectraBase Compound ID FqbfAmq1O9e
InChI InChI=1S/C13H18F6O6S2/c1-6(2)10(20)8(11(21)7(3)4)5-9(26(22,23)12(14,15)16)27(24,25)13(17,18)19/h6-9H,5H2,1-4H3
InChIKey ULIRWVNWIHUPMR-UHFFFAOYSA-N
Mol Weight 448.39 g/mol
Molecular Formula C13H18F6O6S2
Exact Mass 448.0449 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5PXgWedAON6
Name 4-[2,2-BIS-(TRIFLUOROMETHYLSULFONYL)-ETHYL]-2,6-DIMETHYLHEPTANE-3,5-DIONE
Compound Number 4I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18F6O6S2
InChI InChI=1S/C13H18F6O6S2/c1-6(2)10(20)8(11(21)7(3)4)5-9(26(22,23)12(14,15)16)27(24,25)13(17,18)19/h6-9H,5H2,1-4H3
InChIKey ULIRWVNWIHUPMR-UHFFFAOYSA-N
Literature Reference Author H.YANAI,M.FUJITA,A.TAKAHASHI,M.ZHANG,M.MISHIMA,A.KOTANI,T.MA TSUMOTO,T.TAGUCHI
Literature Reference Citation MOLECULES,18,15531(2013)
Literature Reference DOI 10.3390/molecules181215531
Solvent CDCl3
Source File Reference UWIR9999