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N,N-DIPHENYL-5-FERROCENYL-4,9-DIMETHYL-1,2,3,5,6,7,8,9-OCTAHYDROPYRIDAZINO-[4,5-C]-PYRIDAZINE-1,2,6,7-TETRACARBOXIMIDE
SpectraBase Compound ID 37Y3gy64aFe
InChI InChI=1S/C29H21N6O4.C5H.Fe/c1-19-17-30-25(36)33(22-15-7-4-8-16-22)28(39)35(30)29(2)18-31-26(37)32(21-13-5-3-6-14-21)27(38)34(31)24(23(19)29)20-11-9-10-12-20;1-2-4-5-3-1;/h3-8,13-16,24H,17-18H2,1-2H3;1H;
InChIKey CRJRWHLWPJCZLY-UHFFFAOYSA-N
Mol Weight 634.4 g/mol
Molecular Formula C34H22FeN6O4
Exact Mass 634.105189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A9FZ1yD4w8u
Name N,N-DIPHENYL-5-FERROCENYL-4,9-DIMETHYL-1,2,3,5,6,7,8,9-OCTAHYDROPYRIDAZINO-[4,5-C]-PYRIDAZINE-1,2,6,7-TETRACARBOXIMIDE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H22FeN6O4
InChI InChI=1S/C29H21N6O4.C5H.Fe/c1-19-17-30-25(36)33(22-15-7-4-8-16-22)28(39)35(30)29(2)18-31-26(37)32(21-13-5-3-6-14-21)27(38)34(31)24(23(19)29)20-11-9-10-12-20;1-2-4-5-3-1;/h3-8,13-16,24H,17-18H2,1-2H3;1H;
InChIKey CRJRWHLWPJCZLY-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 634.433 g/mol
Sample ID 67719
Solvent CDCl3