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1,1'-(FERROCENE-1,1'-DICARBONYL-DIYL)-BIS-[3-[(S)-[(2S,4R,8R)-8-ETHYL-QUINUCLIDIN-2-YL]-(6-METHOXY-QUINOLIN-4-YL)-METHYL]]-THIOUREA

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1,1'-(FERROCENE-1,1'-DICARBONYL-DIYL)-BIS-[3-[(S)-[(2S,4R,8R)-8-ETHYL-QUINUCLIDIN-2-YL]-(6-METHOXY-QUINOLIN-4-YL)-METHYL]]-THIOUREA
SpectraBase Compound ID 92U6nKxeVIH
InChI InChI=1S/2C27H27N4O2S.Fe/c2*1-3-17-16-31-13-11-19(17)14-24(31)25(29-27(34)30-26(32)18-6-4-5-7-18)21-10-12-28-23-9-8-20(33-2)15-22(21)23;/h2*8-10,12,15,17,19,24-25H,3,11,13-14,16H2,1-2H3,(H2,29,30,32,34);/t2*17-,19+,24-,25+;/m11./s1
InChIKey AQJQXVGUJJOGKK-KZKCYENESA-N
Mol Weight 999.0 g/mol
Molecular Formula C54H54FeN8O4S2
Exact Mass 998.305881 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID fBrs86I2iF
Name 1,1'-(FERROCENE-1,1'-DICARBONYL-DIYL)-BIS-[3-[(S)-[(2S,4R,8R)-8-ETHYL-QUINUCLIDIN-2-YL]-(6-METHOXY-QUINOLIN-4-YL)-METHYL]]-THIOUREA
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H54FeN8O4S2
InChI InChI=1S/2C27H27N4O2S.Fe/c2*1-3-17-16-31-13-11-19(17)14-24(31)25(29-27(34)30-26(32)18-6-4-5-7-18)21-10-12-28-23-9-8-20(33-2)15-22(21)23;/h2*8-10,12,15,17,19,24-25H,3,11,13-14,16H2,1-2H3,(H2,29,30,32,34);/t2*17-,19+,24-,25+;/m11./s1
InChIKey AQJQXVGUJJOGKK-KZKCYENESA-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 999.041 g/mol
Sample ID 1804
Solvent DMSO-D6