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10-CHLORO-2-(F-ETHYL)-4,4,6-TRIFLUORO-3-(F-METHYL)-4H,6H-1,5-BENZODIOXOCIN
SpectraBase Compound ID DXZni4vWXnU
InChI InChI=1S/C13H4ClF11O2/c14-5-3-1-2-4-6(5)26-8(10(16,17)13(23,24)25)7(11(18,19)20)12(21,22)27-9(4)15/h1-3,9H/b8-7-
InChIKey RQYABGQPOVJZTB-FPLPWBNLSA-N
Mol Weight 436.61 g/mol
Molecular Formula C13H4ClF11O2
Exact Mass 435.972417 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2OHd8jiv6rX
Name 10-CHLORO-2-(F-ETHYL)-4,4,6-TRIFLUORO-3-(F-METHYL)-4H,6H-1,5-BENZODIOXOCIN
Comments -46.5PPM IS TOO LOW (A.Y.)
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Formula C13H4ClF11O2
InChI InChI=1S/C13H4ClF11O2/c14-5-3-1-2-4-6(5)26-8(10(16,17)13(23,24)25)7(11(18,19)20)12(21,22)27-9(4)15/h1-3,9H/b8-7-
InChIKey RQYABGQPOVJZTB-FPLPWBNLSA-N
Instrument Name PE R-12A
Literature Reference N.ISHIKAWA, T.KITAZUME, K.CHINO, M.EL-SAID MUSTAFA (1981) J.Fluor.Chem.: v.18,N4, 447-457.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d