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Nickel, [(1,4,5-.eta.)-4-cycloocten-1-yl](1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-O,O')-, stereoisomer
SpectraBase Compound ID B6G2qINUOho
InChI InChI=1S/C8H13.C5H2F6O2.Ni/c1-2-4-6-8-7-5-3-1;6-4(7,8)2(12)1-3(13)5(9,10)11;/h1-2,7H,3-6,8H2;1,12H;/q-3;;+3/b;2-1-;
InChIKey ZJAAMOOPGPRVOE-FJOGWHKWSA-N
Mol Weight 375.94 g/mol
Molecular Formula C13H15F6NiO2
Exact Mass 375.032966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID n9dGOKqdOA
Name Nickel, [(1,4,5-.eta.)-4-cycloocten-1-yl](1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-O,O')-, stereoisomer
Alternate Name(s) Nickel(3+) ion (3Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one cyclooctane-1,2,5-triide Nickel, 4-cyclooctenyl-hexafluoroacetylacetonato- Nickel, [(1,4,5-.eta.)-4-cycloocten-1-yl](1,1,1,5,5,5-hexafluoro-2,4-pentanedion Nickel, [(1,4,5-eta)-4-cycloocten-1-yl](1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-O,O')-, stereoisomer
CAS Registry Number 71900-00-0
Comments Note: The molecular formula of the structure shown is C13H15F6NiO2 - which differs from the formula reported for the mass spectrum (C13H14F6NiO2)
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Formula C13H14F6NiO2
InChI InChI=1S/C8H13.C5H2F6O2.Ni/c1-2-4-6-8-7-5-3-1;6-4(7,8)2(12)1-3(13)5(9,10)11;/h1-2,7H,3-6,8H2;1,12H;/q-3;;+3/b;2-1-;
InChIKey ZJAAMOOPGPRVOE-FJOGWHKWSA-N
Molecular Weight 375.945 g/mol
SMILES O\C(=C/C(=O)C(F)(F)F)C(F)(F)F.[Ni+3].C1C[CH-]CC[CH-][CH-]C1
SPLASH splash10-014i-8900000000-438c6c097f3ec0ee1711
Source of Spectrum HE-1982-0-0
Wiley ID 1356315