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[(2,6-C6H3(ISO-PR)2)N=C(AN)-C(AN)=N(2,6-C6H3(ISO-PR)2)-NI-(CH2CH2CH3)2]
SpectraBase Compound ID 9Rv2kp3WDaw
InChI InChI=1S/C36H40N2.2C3H7.Ni/c1-21(2)26-15-11-16-27(22(3)4)33(26)37-35-30-19-9-13-25-14-10-20-31(32(25)30)36(35)38-34-28(23(5)6)17-12-18-29(34)24(7)8;2*1-3-2;/h9-24H,1-8H3;2*1,3H2,2H3;
InChIKey KDNGQYMDTRGULI-UHFFFAOYSA-N
Mol Weight 645.6 g/mol
Molecular Formula C42H54N2Ni
Exact Mass 644.364042 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FW71uytuTKS
Name [(2,6-C6H3(ISO-PR)2)N=C(AN)-C(AN)=N(2,6-C6H3(ISO-PR)2)-NI-(CH2CH2CH3)2]
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H54N2Ni
InChI InChI=1S/C36H40N2.2C3H7.Ni/c1-21(2)26-15-11-16-27(22(3)4)33(26)37-35-30-19-9-13-25-14-10-20-31(32(25)30)36(35)38-34-28(23(5)6)17-12-18-29(34)24(7)8;2*1-3-2;/h9-24H,1-8H3;2*1,3H2,2H3;
InChIKey KDNGQYMDTRGULI-UHFFFAOYSA-N
Literature Reference Author M.D.LEATHERMAN,S.A.SVEJDA,L.K.JONNDON,M.BROOKHART
Literature Reference Citation J.AM.CHEM.SOC.,125,3068(2003)
Literature Reference DOI 10.1021/ja021071w
Molecular Weight 645.594 g/mol
Sample ID 40794
Solvent CD2Cl2