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8-(PENTAFLUOROETHYL)-7H-15,9-BENZOXACINO[4,3-B]-6,16-BENZOXAZOCIN-7-ONE
SpectraBase Compound ID DUk6vZ7dFL7
InChI InChI=1S/C20H13F5N2O3/c21-19(22,20(23,24)25)16-15-17(29-9-11-5-1-3-7-13(11)26-16)27-14-8-4-2-6-12(14)10-30-18(15)28/h1-8,27H,9-10H2/b17-15+,26-16+
InChIKey KVKMDKLQKFYPLK-PDYFTQBISA-N
Mol Weight 424.33 g/mol
Molecular Formula C20H13F5N2O3
Exact Mass 424.084633 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3h3umpVyOaC
Name 8-(PENTAFLUOROETHYL)-7H-15,9-BENZOXACINO[4,3-B]-6,16-BENZOXAZOCIN-7-ONE
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Formula C20H13F5N2O3
InChI InChI=1S/C20H13F5N2O3/c21-19(22,20(23,24)25)16-15-17(29-9-11-5-1-3-7-13(11)26-16)27-14-8-4-2-6-12(14)10-30-18(15)28/h1-8,27H,9-10H2/b17-15+,26-16+
InChIKey KVKMDKLQKFYPLK-PDYFTQBISA-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