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N-PHENYL-3-FERROCENYL-4-ISOPROPENYL-5-METHYL-1,2,3,6-TETRAHYDROPYRIDAZINE-1,2-DICARBOXIMIDE
SpectraBase Compound ID G30mRYKnAPF
InChI InChI=1S/C21H16N3O2.C5H.Fe/c1-14(2)18-15(3)13-22-20(25)23(17-11-5-4-6-12-17)21(26)24(22)19(18)16-9-7-8-10-16;1-2-4-5-3-1;/h4-6,11-12,19H,1,13H2,2-3H3;1H;
InChIKey ALAFYWYQORDYIY-UHFFFAOYSA-N
Mol Weight 459.29 g/mol
Molecular Formula C26H17FeN3O2
Exact Mass 459.067013 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID zjNMsRMz54
Name N-PHENYL-3-FERROCENYL-4-ISOPROPENYL-5-METHYL-1,2,3,6-TETRAHYDROPYRIDAZINE-1,2-DICARBOXIMIDE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H17FeN3O2
InChI InChI=1S/C21H16N3O2.C5H.Fe/c1-14(2)18-15(3)13-22-20(25)23(17-11-5-4-6-12-17)21(26)24(22)19(18)16-9-7-8-10-16;1-2-4-5-3-1;/h4-6,11-12,19H,1,13H2,2-3H3;1H;
InChIKey ALAFYWYQORDYIY-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 459.287 g/mol
Sample ID 67714
Solvent CDCl3