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2-Pentanone, 4,4'-(1,2-ethanediyldinitrilo)bis[1,1,1-trifluoro-, nickel complex
SpectraBase Compound ID 9Z4eZlXmMxH
InChI InChI=1S/C12H14F6N2O2.Ni/c1-7(5-9(21)11(13,14)15)19-3-4-20-8(2)6-10(22)12(16,17)18;/h5-6,19-20H,3-4H2,1-2H3;/b7-5-,8-6-;
InChIKey LMBVZVRVHYBDFP-OVDGFJEXSA-N
Mol Weight 390.9399 g/mol
Molecular Formula C12H14F6N2NiO2
Exact Mass 390.031289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12bKmFkyLYH
Name 2-Pentanone, 4,4'-(1,2-ethanediyldinitrilo)bis[1,1,1-trifluoro-, nickel complex
Alternate Name(s) N,N'-Ethylenebis(1,1,1-trifluoro-4-iminopentan-2-onato)nickel(ii) N,N'-Ethylenebis(5,5,5-trifluoro-4-oxopentan-2-iminato)nickel(II) Nickel; (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]ethylamino]pent-3-en-2-one Nickel;(Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]ethylamino]-3-penten-2-one Nickel;(Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]ethylamino]pent-3-en-2-one Nickel;(Z)-1,1,1-trifluoro-4-[2-[[(Z)-4,4,4-trifluoro-1-methyl-3-oxo-but-1-enyl]amino]ethylamino]pent-3-en-2-one Nickel;(Z)-1,1,1-tris(fluoranyl)-4-[2-[[(Z)-5,5,5-tris(fluoranyl)-4-oxidanylidene-pent-2-en-2-yl]amino]ethylamino]pent-3-en-2-one
CAS Registry Number 40792-92-5
Comments Note: The molecular formula of the structure shown is C12H14F6N2NiO2 - which differs from the formula reported for the mass spectrum (C12H12F6N2NiO2)
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Formula C12H12F6N2NiO2
InChI InChI=1S/C12H14F6N2O2.Ni/c1-7(5-9(21)11(13,14)15)19-3-4-20-8(2)6-10(22)12(16,17)18;/h5-6,19-20H,3-4H2,1-2H3;/b7-5-,8-6-;
InChIKey LMBVZVRVHYBDFP-OVDGFJEXSA-N
Molecular Weight 390.940 g/mol
SMILES N(\C(C)=C/C(=O)C(F)(F)F)CCN\C(C)=C/C(=O)C(F)(F)F.[Ni]
SPLASH splash10-00dr-0097000000-1dbbf107198d172dc569
Source of Spectrum B-28-1519-2
Wiley ID 1363555