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Nickel, bis(2,6-dimethylphenylimino)ethan-1,5-cyclooctadiene

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Nickel, bis(2,6-dimethylphenylimino)ethan-1,5-cyclooctadiene
SpectraBase Compound ID IKlE98lTUjV
InChI InChI=1S/C18H20N2.2C4H10.Ni/c1-13-7-5-8-14(2)17(13)19-11-12-20-18-15(3)9-6-10-16(18)4;2*1-3-4-2;/h5-12H,1-4H3;2*3-4H2,1-2H3;/b19-11+,20-12+;;;
InChIKey NJQBXYVQVYKRLO-UPPOFDQHSA-N
Mol Weight 441.33 g/mol
Molecular Formula C26H42N2Ni
Exact Mass 440.270141 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 48VQqy4qNQe
Name Nickel, bis(2,6-dimethylphenylimino)ethan-1,5-cyclooctadiene
Comments Computed using HOSE algorithm
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Exact Mass 440.270141360 u
Formula C26H42N2Ni
InChI InChI=1S/C18H20N2.2C4H10.Ni/c1-13-7-5-8-14(2)17(13)19-11-12-20-18-15(3)9-6-10-16(18)4;2*1-3-4-2;/h5-12H,1-4H3;2*3-4H2,1-2H3;/b19-11+,20-12+;;;
InChIKey NJQBXYVQVYKRLO-UPPOFDQHSA-N
Molecular Weight 441.329 g/mol
Nominal Mass 440 u
SMILES CCCC.N=1(c2c(cccc2C)C)[Ni]N(=CC1)c1c(cccc1C)C.C(C)CC