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(7,8,12,13,18,19-Hexadehydro-1,2,2,7,8,12,13,17-octamethyl-18-aza-24H-corrinato)nickel(II)
SpectraBase Compound ID FKP1UG2XunA
InChI InChI=1S/C26H31N5.Ni/c1-13-14(2)20-10-21-15(3)16(4)22(29-21)11-23-17(5)27-24(30-23)26(8)25(6,7)12-18(31-26)9-19(13)28-20;/h9-11,28H,12H2,1-8H3,(H,27,30);/q;+2/p+2/b19-9-,20-10-,22-11-;
InChIKey VQJVBWSWOWMQFK-YIPHPBRDSA-P
Mol Weight 474.2784 g/mol
Molecular Formula C26H33N5Ni
Exact Mass 473.208938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1TviKomnxA2
Name (7,8,12,13,18,19-Hexadehydro-1,2,2,7,8,12,13,17-octamethyl-18-aza-24H-corrinato)nickel(II)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H33N5Ni
InChI InChI=1S/C26H31N5.Ni/c1-13-14(2)20-10-21-15(3)16(4)22(29-21)11-23-17(5)27-24(30-23)26(8)25(6,7)12-18(31-26)9-19(13)28-20;/h9-11,28H,12H2,1-8H3,(H,27,30);/q;+2/p+2/b19-9-,20-10-,22-11-;
InChIKey VQJVBWSWOWMQFK-YIPHPBRDSA-P
Molecular Weight 474.278 g/mol
SMILES [NH2+]1\C2=C/C3=N\C(=C/c4c(nc([nH2+]4)C4(N=C(\C=C/1C(=C2C)C)CC4(C)C)C)C)C(=C3C)C.[Ni+2]
SPLASH splash10-0gi0-0030900000-1e57c103247d5b45d0cd
Source of Spectrum H-97-195-rac_10a
Wiley ID 1784908