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2-EXO-HYDROXY-3-ENDO-BROMO-5,6-TETRAFLUOROBENZOBICYCLO[2.2.2]OCTENE
SpectraBase Compound ID 40tDlLXjXgg
InChI InChI=1S/C12H9BrF4O/c13-7-3-1-2-4(12(7)18)6-5(3)8(14)10(16)11(17)9(6)15/h3-4,7,12,18H,1-2H2/t3-,4+,7+,12+/m0/s1
InChIKey NNUAAXGCUBOBDI-DFELPDQESA-N
Mol Weight 325.1 g/mol
Molecular Formula C12H9BrF4O
Exact Mass 323.977291 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3UdSZRBuTge
Name 2-EXO-HYDROXY-3-ENDO-BROMO-5,6-TETRAFLUOROBENZOBICYCLO[2.2.2]OCTENE
Comments CARCAS STRUCTURE. SCALE INVERTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H9BrF4O
InChI InChI=1S/C12H9BrF4O/c13-7-3-1-2-4(12(7)18)6-5(3)8(14)10(16)11(17)9(6)15/h3-4,7,12,18H,1-2H2/t3-,4+,7+,12+/m0/s1
InChIKey NNUAAXGCUBOBDI-DFELPDQESA-N
Instrument Name Varian A56/60A
Literature Reference N.N.POVOLOTSKAYA, A.YU.SPIVAK, G.D.SLYN'KO, M.I.KOLLEGOVA, B.G.DERENDYAEV,A.K.PETROV, V.A.BARKHASH (1973) Zhurn.Org.Khim.(Russ. Lang.): v.9, N9, 1869-1878.
NMR Standard C6F6
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported