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Cobalt complex III
SpectraBase Compound ID 9ROkhMnV9Bz
InChI InChI=1S/C20H24N2O6.CH3.Co/c1-5-27-19(25)15(13(3)23)11-21-17-9-7-8-10-18(17)22-12-16(14(4)24)20(26)28-6-2;;/h7-12,23-24H,5-6H2,1-4H3;1H3;/q;;+4/p-2/b15-13+,16-14+,21-11+,22-12+;;
InChIKey LSKIJXZCADNCPD-ZTTJKFNSSA-L
Mol Weight 460.37 g/mol
Molecular Formula C21H25CoN2O6
Exact Mass 460.104456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5AYgRll775k
Name Cobalt complex III
Alternate Name(s) 4,15-bis(ethoxycarbonyl)-1,3,16-trimethyl-2,17-dioxa-6,13-diaza-1-cobaltatetracyclo[11.4.0.0(1,6).0(7,12)]heptadeca-3,5,7,9,11,13,15-heptaene-6,13-bis(ylium)
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Formula C21H25CoN2O6
InChI InChI=1S/C20H24N2O6.CH3.Co/c1-5-27-19(25)15(13(3)23)11-21-17-9-7-8-10-18(17)22-12-16(14(4)24)20(26)28-6-2;;/h7-12,23-24H,5-6H2,1-4H3;1H3;/q;;+4/p-2/b15-13+,16-14+,21-11+,22-12+;;
InChIKey LSKIJXZCADNCPD-ZTTJKFNSSA-L
Molecular Weight 460.372 g/mol
SMILES CCOC(=O)C1=C(C)O[Co]23(C)OC(C)=C(C=[N+]3c3ccccc3[N+]2=C1)C(=O)OCC
SPLASH splash10-01ot-1453900000-3850cb30b20791a439a6
Wiley ID 1476214