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1,1'-(FERROCENE-1,1'-DIYL)-BIS-[3-[(S)-[(2S,4R,8R)-8-ETHYL-QUINUCLIDIN-2-YL]-(6-METHOXY-QUINOLIN-4-YL)-METHYL]]-UREA
SpectraBase Compound ID 4O45MJOMxV5
InChI InChI=1S/2C26H27N4O2.Fe/c2*1-3-17-16-30-13-11-18(17)14-24(30)25(29-26(31)28-19-6-4-5-7-19)21-10-12-27-23-9-8-20(32-2)15-22(21)23;/h2*8-10,12,15,17-18,24-25H,3,11,13-14,16H2,1-2H3,(H2,28,29,31);/t2*17-,18+,24-,25-;/m10./s1
InChIKey QFMGMVQWPPKRER-RLTSASAISA-N
Mol Weight 910.9 g/mol
Molecular Formula C52H54FeN8O4
Exact Mass 910.361738 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EpMJCy83Rgb
Name 1,1'-(FERROCENE-1,1'-DIYL)-BIS-[3-[(S)-[(2S,4R,8R)-8-ETHYL-QUINUCLIDIN-2-YL]-(6-METHOXY-QUINOLIN-4-YL)-METHYL]]-UREA
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H54FeN8O4
InChI InChI=1S/2C26H27N4O2.Fe/c2*1-3-17-16-30-13-11-18(17)14-24(30)25(29-26(31)28-19-6-4-5-7-19)21-10-12-27-23-9-8-20(32-2)15-22(21)23;/h2*8-10,12,15,17-18,24-25H,3,11,13-14,16H2,1-2H3,(H2,28,29,31);/t2*17-,18+,24-,25-;/m10./s1
InChIKey QFMGMVQWPPKRER-RLTSASAISA-N
Literature Reference Author B.I.KAROLYI,S.BOSZE,E.ORBAN,P.SOHAR,L.DRAHOS,E.GAL,A.CSAMPAI
Literature Reference Citation MOLECULES,17,2316(2012)
Literature Reference DOI 10.3390/molecules17032316
Molecular Weight 910.899 g/mol
Sample ID 1803
Solvent CDCl3