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5-Keto-1-hexanal dioxime, o,o'-bis[(pentafluorophenyl)methyl]-
SpectraBase Compound ID FfHkSacuK73
InChI InChI=1S/C20H14F10N2O2/c1-8(32-34-7-10-13(23)17(27)20(30)18(28)14(10)24)4-2-3-5-31-33-6-9-11(21)15(25)19(29)16(26)12(9)22/h5H,2-4,6-7H2,1H3/b31-5+,32-8+
InChIKey QPZLOTSJOQEIBU-SOSKHMMQSA-N
Mol Weight 504.33 g/mol
Molecular Formula C20H14F10N2O2
Exact Mass 504.089559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ZdiJGkN0H6
Name 5-Keto-1-hexanal dioxime, o,o'-bis[(pentafluorophenyl)methyl]-
Comments Computed using HOSE algorithm
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Exact Mass 504.089559327 u
Formula C20H14F10N2O2
InChI InChI=1S/C20H14F10N2O2/c1-8(32-34-7-10-13(23)17(27)20(30)18(28)14(10)24)4-2-3-5-31-33-6-9-11(21)15(25)19(29)16(26)12(9)22/h5H,2-4,6-7H2,1H3/b31-5+,32-8+
InChIKey QPZLOTSJOQEIBU-SOSKHMMQSA-N
Molecular Weight 504.328 g/mol
SMILES C\C(CCC\C=N\OCC1=C(F)C(F)=C(C(=C1F)F)F)=N/OCC1=C(F)C(F)=C(C(=C1F)F)F