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N,N-DIPHENYL-5-FERROCENYL-9-METHYL-1,2,3,5,6,7,8,9-OCTAHYDROPYRIDAZINO-[4,5-C]-PYRIDAZINE-1,2,6,7-TETRACARBOXIMIDE
SpectraBase Compound ID LFKeMFAdPnM
InChI InChI=1S/C28H19N6O4.C5H.Fe/c1-28-18-30-25(36)31(20-12-4-2-5-13-20)26(37)33(30)23(19-10-8-9-11-19)22(28)16-17-29-24(35)32(27(38)34(28)29)21-14-6-3-7-15-21;1-2-4-5-3-1;/h2-7,12-16,23H,17-18H2,1H3;1H;
InChIKey WDQALNPWZUEMKY-UHFFFAOYSA-N
Mol Weight 620.4 g/mol
Molecular Formula C33H20FeN6O4
Exact Mass 620.089539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2JuxcvqiIO0
Name N,N-DIPHENYL-5-FERROCENYL-9-METHYL-1,2,3,5,6,7,8,9-OCTAHYDROPYRIDAZINO-[4,5-C]-PYRIDAZINE-1,2,6,7-TETRACARBOXIMIDE
Compound Number 5E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H20FeN6O4
InChI InChI=1S/C28H19N6O4.C5H.Fe/c1-28-18-30-25(36)31(20-12-4-2-5-13-20)26(37)33(30)23(19-10-8-9-11-19)22(28)16-17-29-24(35)32(27(38)34(28)29)21-14-6-3-7-15-21;1-2-4-5-3-1;/h2-7,12-16,23H,17-18H2,1H3;1H;
InChIKey WDQALNPWZUEMKY-UHFFFAOYSA-N
Literature Reference Author J.M.M.MENDOZA,E.A.V.LOPEZ,R.M.ESPARZA,M.F.ALAMO,E.I.KLIMOVA
Literature Reference Citation J.HETCYCL.CHEM.,43,1115(2006)
Literature Reference DOI 10.1002/jhet.5570430446
Molecular Weight 620.407 g/mol
Sample ID 67723
Solvent CDCl3