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(Z)-1-CHLORO-4,4,5,5,6,6,6-HEPTAFLUORO-1-PHENYL-1-HEXEN-3-ONE
SpectraBase Compound ID U2QYqXZqXo
InChI InChI=1S/C12H6ClF7O/c13-8(7-4-2-1-3-5-7)6-9(21)10(14,15)11(16,17)12(18,19)20/h1-6H/b8-6-
InChIKey PJDSWVDEHSXGAV-VURMDHGXSA-N
Mol Weight 334.62 g/mol
Molecular Formula C12H6ClF7O
Exact Mass 333.99954 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID z5OMAOLopJ
Name (Z)-1-CHLORO-4,4,5,5,6,6,6-HEPTAFLUORO-1-PHENYL-1-HEXEN-3-ONE
Compound Number 3AE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H6ClF7O
InChI InChI=1S/C12H6ClF7O/c13-8(7-4-2-1-3-5-7)6-9(21)10(14,15)11(16,17)12(18,19)20/h1-6H/b8-6-
InChIKey PJDSWVDEHSXGAV-VURMDHGXSA-N
Literature Reference Author T.KASHIWABARA,K.KATAOKA,R.HUA,S.SHIMADA,M.TANAKA
Literature Reference Citation ORG.LETTERS,7,2241(2005)
Literature Reference DOI 10.1021/ol050632w
Molecular Weight 334.621 g/mol
Sample ID 42895
Solvent CDCl3