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METHANESULFONIC-ACID-(5-ETHYNYL-1-AZA-BICYCLO-[2.2.2]-OCT-2-YL)-QUINOLIN-4-YL-METHYLESTER
SpectraBase Compound ID HokqLEy2Y6l
InChI InChI=1S/C20H22N2O3S/c1-3-14-13-22-11-9-15(14)12-19(22)20(25-26(2,23)24)17-8-10-21-18-7-5-4-6-16(17)18/h1,4-8,10,14-15,19-20H,9,11-13H2,2H3/t14-,15-,19+,20+/m1/s1
InChIKey GDKABLAYILCSHX-IPZZXCBHSA-N
Mol Weight 370.47 g/mol
Molecular Formula C20H22N2O3S
Exact Mass 370.135114 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 47iEMrIASQv
Name METHANESULFONIC-ACID-(5-ETHYNYL-1-AZA-BICYCLO-[2.2.2]-OCT-2-YL)-QUINOLIN-4-YL-METHYLESTER
Compound Number 7-OMS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22N2O3S
InChI InChI=1S/C20H22N2O3S/c1-3-14-13-22-11-9-15(14)12-19(22)20(25-26(2,23)24)17-8-10-21-18-7-5-4-6-16(17)18/h1,4-8,10,14-15,19-20H,9,11-13H2,2H3/t14-,15-,19+,20+/m1/s1
InChIKey GDKABLAYILCSHX-IPZZXCBHSA-N
Literature Reference Author S.ROEPER,M.H.FRANZ,R.WARTCHOW,H.M.R.HOFFMANN
Literature Reference Citation ORG.LETTERS,5,2773(2003)
Literature Reference DOI 10.1021/ol034719y
Molecular Weight 370.466 g/mol
Sample ID 31636
Solvent CDCl3