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1-BENZOYL-3-[(S)-[(2S,4R,8R)-8-ETHYL-QUINUCLIDIN-2-YL]-(6-METHOXY-QUINOLIN-4-YL)-METHYL]-THIOUREA
SpectraBase Compound ID B8RAuINaVOj
InChI InChI=1S/C28H32N4O2S/c1-3-18-17-32-14-12-20(18)15-25(32)26(30-28(35)31-27(33)19-7-5-4-6-8-19)22-11-13-29-24-10-9-21(34-2)16-23(22)24/h4-11,13,16,18,20,25-26H,3,12,14-15,17H2,1-2H3,(H2,30,31,33,35)/t18-,20+,25-,26+/m1/s1
InChIKey BXGVQPDVLSWUAW-HOFFSEQDSA-N
Mol Weight 488.7 g/mol
Molecular Formula C28H32N4O2S
Exact Mass 488.224597 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1B1WrnjfQMT
Name 1-BENZOYL-3-[(S)-[(2S,4R,8R)-8-ETHYL-QUINUCLIDIN-2-YL]-(6-METHOXY-QUINOLIN-4-YL)-METHYL]-THIOUREA
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H32N4O2S
InChI InChI=1S/C28H32N4O2S/c1-3-18-17-32-14-12-20(18)15-25(32)26(30-28(35)31-27(33)19-7-5-4-6-8-19)22-11-13-29-24-10-9-21(34-2)16-23(22)24/h4-11,13,16,18,20,25-26H,3,12,14-15,17H2,1-2H3,(H2,30,31,33,35)/t18-,20+,25-,26+/m1/s1
InChIKey BXGVQPDVLSWUAW-HOFFSEQDSA-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 488.648 g/mol
Sample ID 1805
Solvent CDCl3