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(+,-)-16-Methyl-16,17-dihydro-5H-dibenzo[f,m][1,4,8,12]tetraazacyclopentadecinatonickel(II) Iodide
SpectraBase Compound ID 5wFs7TJeefK
InChI InChI=1S/C20H19N4.HI.Ni/c1-16-13-21-14-17-7-2-4-9-19(17)22-11-6-12-23-20-10-5-3-8-18(20)15-24-16;;/h2-12,14-16H,13H2,1H3;1H;/q-4;;+4/p-1
InChIKey BJCWVYQYUQGUKQ-UHFFFAOYSA-M
Mol Weight 501.0 g/mol
Molecular Formula C20H19IN4Ni
Exact Mass 500.000784 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PtpglsrDJX
Name (+,-)-16-Methyl-16,17-dihydro-5H-dibenzo[f,m][1,4,8,12]tetraazacyclopentadecinatonickel(II) Iodide
Alternate Name(s) 14-Methyl-5,13,16,24-tetraaza-1-nickelaundecacyclo[11.11.0.0(1,3).0(1,4).0(1,5).0(1,12).0(1,16).0(1,17).0(2,24).0(6,11).0(18,23)]tetracosa-6(11),7,9,18(23),19,21-hexaene iodide
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Formula C20H19IN4Ni
InChI InChI=1S/C20H19N4.HI.Ni/c1-16-13-21-14-17-7-2-4-9-19(17)22-11-6-12-23-20-10-5-3-8-18(20)15-24-16;;/h2-12,14-16H,13H2,1H3;1H;/q-4;;+4/p-1
InChIKey BJCWVYQYUQGUKQ-UHFFFAOYSA-M
Molecular Weight 500.998 g/mol
SMILES [I-].c12N3[Ni]456789%10C(c1cccc2)N5C(C)CN%10C4c1ccccc1N9C6C7C38
SPLASH splash10-00di-0409000000-91cb8a20f44d84ab98c2
Source of Spectrum B-29-2278-0
Wiley ID 1398791