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1,1,1,2,2-PENTAFLUORO-7-(4-HEXYLOXYPHENYL)-HEPTAN-3-ONE
SpectraBase Compound ID HfPJ7T36H8V
InChI InChI=1S/C19H25F5O2/c1-2-3-4-7-14-26-16-12-10-15(11-13-16)8-5-6-9-17(25)18(20,21)19(22,23)24/h10-13H,2-9,14H2,1H3
InChIKey JHGJKMKCBBWJEY-UHFFFAOYSA-N
Mol Weight 380.4 g/mol
Molecular Formula C19H25F5O2
Exact Mass 380.177471 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LPMneLns1Yo
Name 1,1,1,2,2-PENTAFLUORO-7-(4-HEXYLOXYPHENYL)-HEPTAN-3-ONE
Compound Number 12C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H25F5O2
InChI InChI=1S/C19H25F5O2/c1-2-3-4-7-14-26-16-12-10-15(11-13-16)8-5-6-9-17(25)18(20,21)19(22,23)24/h10-13H,2-9,14H2,1H3
InChIKey JHGJKMKCBBWJEY-UHFFFAOYSA-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 UWMZ46009