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copper; (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]anilino]pent-3-en-2-one
SpectraBase Compound ID ML9ypNndnX
InChI InChI=1S/C16H14F6N2O2.Cu/c1-9(7-13(25)15(17,18)19)23-11-5-3-4-6-12(11)24-10(2)8-14(26)16(20,21)22;/h3-8,23-24H,1-2H3;/b9-7-,10-8-;
InChIKey ZQADQFRYAJKZQB-RMMOYNDYSA-N
Mol Weight 443.837 g/mol
Molecular Formula C16H14CuF6N2O2
Exact Mass 443.025544 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CAnhAVW0Fe
Name copper; (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]anilino]pent-3-en-2-one
Alternate Name(s) copper;(Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]anilino]-3-penten-2-one copper;(Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]anilino]pent-3-en-2-one copper;(Z)-1,1,1-trifluoro-4-[2-[[(Z)-4,4,4-trifluoro-1-methyl-3-oxo-but-1-enyl]amino]anilino]pent-3-en-2-one copper;(Z)-1,1,1-tris(fluoranyl)-4-[[2-[[(Z)-5,5,5-tris(fluoranyl)-4-oxidanylidene-pent-2-en-2-yl]amino]phenyl]amino]pent-3-en-2-one
CAS Registry Number 88007-88-9
Comments Note: The molecular formula of the structure shown is C16H14CuF6N2O2 - which differs from the formula reported for the mass spectrum (C16H12CuF6N2O2)
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Formula C16H12CuF6N2O2
InChI InChI=1S/C16H14F6N2O2.Cu/c1-9(7-13(25)15(17,18)19)23-11-5-3-4-6-12(11)24-10(2)8-14(26)16(20,21)22;/h3-8,23-24H,1-2H3;/b9-7-,10-8-;
InChIKey ZQADQFRYAJKZQB-RMMOYNDYSA-N
Molecular Weight 443.837 g/mol
SMILES N(\C(C)=C/C(=O)C(F)(F)F)c1ccccc1N\C(C)=C/C(=O)C(F)(F)F.[Cu]
SPLASH splash10-004i-2590000000-87a3bebc304bd437ac7f
Source of Spectrum W5-1989-35480-30056
Wiley ID 1384998