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(17,18,19,24-Tetrahydro-3,7,8,12,13,18,18,19-octamethyl-22H-2-azabilin-19-carbonitrilato)nickel(II)
SpectraBase Compound ID G71eCGVmCcv
InChI InChI=1S/C27H32N6.Ni/c1-15-16(2)22(31-21(15)9-20-12-26(6,7)27(8,13-28)33-20)10-23-17(3)18(4)24(32-23)11-25-19(5)29-14-30-25;/h9-11,14,31H,12H2,1-8H3,(H,29,30);/q;+2/p+2/b21-9-,22-10?,24-11?;
InChIKey SXMKRWCDLYCJNJ-VMUDFZMESA-P
Mol Weight 501.3 g/mol
Molecular Formula C27H34N6Ni
Exact Mass 500.219837 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8aQgW4STt4j
Name (17,18,19,24-Tetrahydro-3,7,8,12,13,18,18,19-octamethyl-22H-2-azabilin-19-carbonitrilato)nickel(II)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34N6Ni
InChI InChI=1S/C27H32N6.Ni/c1-15-16(2)22(31-21(15)9-20-12-26(6,7)27(8,13-28)33-20)10-23-17(3)18(4)24(32-23)11-25-19(5)29-14-30-25;/h9-11,14,31H,12H2,1-8H3,(H,29,30);/q;+2/p+2/b21-9-,22-10?,24-11?;
InChIKey SXMKRWCDLYCJNJ-VMUDFZMESA-P
Molecular Weight 501.304 g/mol
SMILES [nH2+]1cnc(c1C=C1N=C(C=C2[NH2+]\C(C(=C2C)C)=C/C2=NC(C)(C#N)C(C)(C)C2)C(=C1C)C)C.[Ni+2]
SPLASH splash10-0gi0-0010900000-7b6f1840a307c200eaa6
Source of Spectrum H-97-194-rac_6b
Wiley ID 1784910