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N-PHENYL-3-FERROCENYL-4-ISOPROPENYL-5-PHENYL-1,2,3,6-TETRAHYDROPYRIDAZINE-1,2-DICARBOXIMIDE
SpectraBase Compound ID 96luk9QDqwp
InChI InChI=1S/C26H18N3O2.C5H.Fe/c1-18(2)23-22(19-11-5-3-6-12-19)17-27-25(30)28(21-15-7-4-8-16-21)26(31)29(27)24(23)20-13-9-10-14-20;1-2-4-5-3-1;/h3-8,11-12,15-16,24H,1,17H2,2H3;1H;
InChIKey KENKWLMMFRFWAO-UHFFFAOYSA-N
Mol Weight 521.36 g/mol
Molecular Formula C31H19FeN3O2
Exact Mass 521.082663 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7aSchbD9Cby
Name N-PHENYL-3-FERROCENYL-4-ISOPROPENYL-5-PHENYL-1,2,3,6-TETRAHYDROPYRIDAZINE-1,2-DICARBOXIMIDE
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H19FeN3O2
InChI InChI=1S/C26H18N3O2.C5H.Fe/c1-18(2)23-22(19-11-5-3-6-12-19)17-27-25(30)28(21-15-7-4-8-16-21)26(31)29(27)24(23)20-13-9-10-14-20;1-2-4-5-3-1;/h3-8,11-12,15-16,24H,1,17H2,2H3;1H;
InChIKey KENKWLMMFRFWAO-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 521.358 g/mol
Sample ID 67716
Solvent CDCl3