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(4E,6E)-1,1,1,2,2-PENTAFLUORO-7-HEPTA-4,6-DIEN-3-ONE
SpectraBase Compound ID IgDHWyqUvJM
InChI InChI=1S/C13H9F5O/c14-12(15,13(16,17)18)11(19)9-5-4-8-10-6-2-1-3-7-10/h1-9H/b8-4+,9-5+
InChIKey NUZMHAUWISENHO-KBXRYBNXSA-N
Mol Weight 276.21 g/mol
Molecular Formula C13H9F5O
Exact Mass 276.057356 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AcoUT3oot3b
Name (4E,6E)-1,1,1,2,2-PENTAFLUORO-7-HEPTA-4,6-DIEN-3-ONE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H9F5O
InChI InChI=1S/C13H9F5O/c14-12(15,13(16,17)18)11(19)9-5-4-8-10-6-2-1-3-7-10/h1-9H/b8-4+,9-5+
InChIKey NUZMHAUWISENHO-KBXRYBNXSA-N
Literature Reference Author G.KOKOTOS,Y.H.HSU,J.E.BURKE,C.BASKAKIS,C.G.KOKOTOS,V.MAGRIOT I,E.A.DENNIS
Literature Reference Citation J.MED.CHEM.,53,3602(2010)
Literature Reference DOI 10.1021/jm901872v
Solvent CDCl3
Source File Reference UWMZ46004