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1,1,1-TRIFLUORO-5-(4-OCTYLPHENOXY)-PENTAN-2-ONE
SpectraBase Compound ID 2t6uzo65BCb
InChI InChI=1S/C19H27F3O2/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)24-15-8-10-18(23)19(20,21)22/h11-14H,2-10,15H2,1H3
InChIKey UMRJNULJIAZHAL-UHFFFAOYSA-N
Mol Weight 344.42 g/mol
Molecular Formula C19H27F3O2
Exact Mass 344.196315 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7SvVFe3B7ai
Name 1,1,1-TRIFLUORO-5-(4-OCTYLPHENOXY)-PENTAN-2-ONE
Compound Number 12E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H27F3O2
InChI InChI=1S/C19H27F3O2/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)24-15-8-10-18(23)19(20,21)22/h11-14H,2-10,15H2,1H3
InChIKey UMRJNULJIAZHAL-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 UWMZ46006