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1,1,1,2,2-PENTAFLUORO-6-PHENOXYHEXAN-3-ONE
SpectraBase Compound ID CUrZJw5KFSA
InChI InChI=1S/C12H11F5O2/c13-11(14,12(15,16)17)10(18)7-4-8-19-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey UBHYINRSFYRPGI-UHFFFAOYSA-N
Mol Weight 282.21 g/mol
Molecular Formula C12H11F5O2
Exact Mass 282.06792 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lketjl0YoGw
Name 1,1,1,2,2-PENTAFLUORO-6-PHENOXYHEXAN-3-ONE
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11F5O2
InChI InChI=1S/C12H11F5O2/c13-11(14,12(15,16)17)10(18)7-4-8-19-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey UBHYINRSFYRPGI-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 UWMZ46005