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N,N-DIPHENYL-5-FERROCENYL-4-METHYL-1,2,3,5,6,7,8,9-OCTAHYDROPYRIDAZINO-[4,5-C]-PYRIDAZINE-1,2,6,7-TETRACARBOXIMIDE
SpectraBase Compound ID EZnWEIzww5W
InChI InChI=1S/C28H19N6O4.C5H.Fe/c1-18-16-29-25(35)31(20-12-4-2-5-13-20)27(37)33(29)22-17-30-26(36)32(21-14-6-3-7-15-21)28(38)34(30)24(23(18)22)19-10-8-9-11-19;1-2-4-5-3-1;/h2-7,12-15,22,24H,16-17H2,1H3;1H;
InChIKey YHUWGOQTGKDZJU-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 4GacrcbQHR4
Name N,N-DIPHENYL-5-FERROCENYL-4-METHYL-1,2,3,5,6,7,8,9-OCTAHYDROPYRIDAZINO-[4,5-C]-PYRIDAZINE-1,2,6,7-TETRACARBOXIMIDE
Compound Number 5F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H20FeN6O4
InChI InChI=1S/C28H19N6O4.C5H.Fe/c1-18-16-29-25(35)31(20-12-4-2-5-13-20)27(37)33(29)22-17-30-26(36)32(21-14-6-3-7-15-21)28(38)34(30)24(23(18)22)19-10-8-9-11-19;1-2-4-5-3-1;/h2-7,12-15,22,24H,16-17H2,1H3;1H;
InChIKey YHUWGOQTGKDZJU-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 67724
Solvent CDCl3