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[N-(2,6-DIISOPROPYLPHENYL)-2-(2,6-DIISOPROPYLPHENYLIMINO)-PROPANAMIDATO-TRIS-(PENTAFLUOROPHENYL)-BORATE-KAPPA(2)-N,N]-(ETA(3)-BENZYL)-NICKEL(II)
SpectraBase Compound ID 5J86SXqbZIc
InChI InChI=1S/C45H37BF15N2O.C7H6.Ni/c1-16(2)21-12-10-13-22(17(3)4)43(21)62-20(9)45(63-44-23(18(5)6)14-11-15-24(44)19(7)8)64-46(25-28(47)34(53)40(59)35(54)29(25)48,26-30(49)36(55)41(60)37(56)31(26)50)27-32(51)38(57)42(61)39(58)33(27)52;1-7-5-3-2-4-6-7;/h10-19H,1-9H3;2-5H,1H2;/q-1;;+1/b62-20+;;
InChIKey JNICJFRVDWTXAB-VZLVJIRLSA-N
Mol Weight 1066.4 g/mol
Molecular Formula C52H43BF15N2NiO
Exact Mass 1065.258234 g/mol

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AHAgsQDNP5c
Name [N-(2,6-DIISOPROPYLPHENYL)-2-(2,6-DIISOPROPYLPHENYLIMINO)-PROPANAMIDATO-TRIS-(PENTAFLUOROPHENYL)-BORATE-KAPPA(2)-N,N]-(ETA(3)-BENZYL)-NICKEL(II)
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H43BF15N2NiO
InChI InChI=1S/C45H37BF15N2O.C7H6.Ni/c1-16(2)21-12-10-13-22(17(3)4)43(21)62-20(9)45(63-44-23(18(5)6)14-11-15-24(44)19(7)8)64-46(25-28(47)34(53)40(59)35(54)29(25)48,26-30(49)36(55)41(60)37(56)31(26)50)27-32(51)38(57)42(61)39(58)33(27)52;1-7-5-3-2-4-6-7;/h10-19H,1-9H3;2-5H,1H2;/q-1;;+1/b62-20+;;
InChIKey JNICJFRVDWTXAB-VZLVJIRLSA-N
Literature Reference Author B.Y.LEE,G.C.BAZAN,J.VELA,Z.J.A.KOMON,X.BU
Literature Reference Citation J.AM.CHEM.SOC.,123,5352(2001)
Literature Reference DOI 10.1021/ja004191h
Solvent TOLUENE
Source File Reference UWSI23912