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2-ALLYL-3,4,5,6,7,8-HEXAFLUOROISOQUINOLIN-1(2H)-ONE
SpectraBase Compound ID CUbYId1LELQ
InChI InChI=1S/C12H5F6NO/c1-2-3-19-11(18)8(15)4-5(12(19)20)7(14)10(17)9(16)6(4)13/h2H,1,3H2
InChIKey VIBJFIDTVOTJOJ-UHFFFAOYSA-N
Mol Weight 293.17 g/mol
Molecular Formula C12H5F6NO
Exact Mass 293.027533 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5fBobWulRkF
Name 2-ALLYL-3,4,5,6,7,8-HEXAFLUOROISOQUINOLIN-1(2H)-ONE
Comments SCALE INVERTED (DIRECT INDICATION IN THE PUBLICATION).
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H5F6NO
InChI InChI=1S/C12H5F6NO/c1-2-3-19-11(18)8(15)4-5(12(19)20)7(14)10(17)9(16)6(4)13/h2H,1,3H2
InChIKey VIBJFIDTVOTJOJ-UHFFFAOYSA-N
Instrument Name Bruker AC-250
Literature Reference G.M.BROOKE, I.M.EGGLESTON, F.A.HALE (1988) J.Fluor.Chem.: v.38, N3, 421-434.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d