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3,5-DIETHOXYCARBONYL-2-PENTAFLUOROPHENYL-7,8,9,10-TETRAFLUORO-4,5-DIHYDROBENZO-[B]-OXACIN-6-ONE
SpectraBase Compound ID Hd4QObuMBrC
InChI InChI=1S/C29H17F9O6/c1-3-42-28(40)12-11(10-8-6-5-7-9-10)13(29(41)43-4-2)26(14-16(30)19(33)22(36)20(34)17(14)31)44-27-15(25(12)39)18(32)21(35)23(37)24(27)38/h5-9,11-12H,3-4H2,1-2H3/b26-13+
InChIKey UKKDAXULLMZZFP-LGJNPRDNSA-N
Mol Weight 632.43 g/mol
Molecular Formula C29H17F9O6
Exact Mass 632.088142 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IjtwINyCBgD
Name 3,5-DIETHOXYCARBONYL-2-PENTAFLUOROPHENYL-7,8,9,10-TETRAFLUORO-4,5-DIHYDROBENZO-[B]-OXACIN-6-ONE
Compound Number IV
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H17F9O6
InChI InChI=1S/C29H17F9O6/c1-3-42-28(40)12-11(10-8-6-5-7-9-10)13(29(41)43-4-2)26(14-16(30)19(33)22(36)20(34)17(14)31)44-27-15(25(12)39)18(32)21(35)23(37)24(27)38/h5-9,11-12H,3-4H2,1-2H3/b26-13+
InChIKey UKKDAXULLMZZFP-LGJNPRDNSA-N
Literature Reference Author M.V.PRYADEINA,O.G.KUZUEVA,Y.V.BURGART,V.I.SALOUTIN
Literature Reference Citation RUSS.J.ORG.CHEM.,38,224(2002)
Literature Reference DOI 10.1023/A:1015565700648
Molecular Weight 632.436 g/mol
Solvent DMSO-D6