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(meso-Tetraphenyl-2,3-secochlorinato-2,3-dialdehyde)nickel(II)
SpectraBase Compound ID CWXRmXlyv3t
InChI InChI=1S/C44H29N4O2.Ni/c49-27-39-43(31-17-9-3-10-18-31)37-25-23-35(46-37)41(29-13-5-1-6-14-29)33-21-22-34(45-33)42(30-15-7-2-8-16-30)36-24-26-38(47-36)44(40(28-50)48-39)32-19-11-4-12-20-32;/h1-28H,(H-,45,46,47,48,49,50);/q-1;+2/p-1
InChIKey IZNGQRSYEISNQK-UHFFFAOYSA-M
Mol Weight 703.4 g/mol
Molecular Formula C44H28N4NiO2
Exact Mass 702.156568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1riWMIZfoNo
Name (meso-Tetraphenyl-2,3-secochlorinato-2,3-dialdehyde)nickel(II)
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Formula C44H28N4NiO2
InChI InChI=1S/C44H29N4O2.Ni/c49-27-39-43(31-17-9-3-10-18-31)37-25-23-35(46-37)41(29-13-5-1-6-14-29)33-21-22-34(45-33)42(30-15-7-2-8-16-30)36-24-26-38(47-36)44(40(28-50)48-39)32-19-11-4-12-20-32;/h1-28H,(H-,45,46,47,48,49,50);/q-1;+2/p-1
InChIKey IZNGQRSYEISNQK-UHFFFAOYSA-M
Molecular Weight 703.427 g/mol
SMILES c12[n]3[Ni]N(\C(=C/(C4=N\C(=C/1c1ccccc1)C=C4)c1ccccc1)C=O)\C(=C/(C1=N\C(=C/(c3cc2)c2ccccc2)C=C1)c1ccccc1)C=O
SPLASH splash10-00di-0000009000-52f2ef226e6000994320
Source of Spectrum J-63-2098-7
Synonyms (10Z,13Z)-5,10,14,19-tetraphenyl-12,20,22,23-tetraaza-21-nickelapentacyclo[10.7.2.1(6,9).1(15,18).0(4,20)]tricosa-1,3,5,7,9(23),10,13,15(22),16,18-decaene-11,13-dicarbaldehyde
Wiley ID 1415107