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1,1,1,2,2-PENTAFLUORO-6-(4-OCTYLPHENOXY)-HEXAN-3-ONE
SpectraBase Compound ID F6ZrwNY0gWE
InChI InChI=1S/C20H27F5O2/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)27-15-8-10-18(26)19(21,22)20(23,24)25/h11-14H,2-10,15H2,1H3
InChIKey PVPJKZYVOHACJL-UHFFFAOYSA-N
Mol Weight 394.43 g/mol
Molecular Formula C20H27F5O2
Exact Mass 394.193121 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7NbIxSW4vns
Name 1,1,1,2,2-PENTAFLUORO-6-(4-OCTYLPHENOXY)-HEXAN-3-ONE
Compound Number 12F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H27F5O2
InChI InChI=1S/C20H27F5O2/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)27-15-8-10-18(26)19(21,22)20(23,24)25/h11-14H,2-10,15H2,1H3
InChIKey PVPJKZYVOHACJL-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 UWMZ46007