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alpha-(6-methoxy-4-quinolyl)-5-vinyl-2-quinuclidinemethanol, sulfate(2:1) (salt), dihydrate

View entire compound with spectra: 3 NMR, 6 FTIR, and 1 Raman

alpha-(6-methoxy-4-quinolyl)-5-vinyl-2-quinuclidinemethanol, sulfate(2:1) (salt), dihydrate
SpectraBase Compound ID Jn5KOrpLemE
InChI InChI=1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19-,20+;;;/m00.../s1
InChIKey ZHNFLHYOFXQIOW-LPYZJUEESA-N
Mol Weight 782.95 g/mol
Molecular Formula C40H54N4O10S
Exact Mass 782.356065 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9DGgNW74NMW
Name QUININE, SULFATE, (2:1) (SALT), DIHYDRATE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula 2C20H24N2O2 H2SO4 2H2O
InChI InChI=1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19-,20+;;;/m00.../s1
InChIKey ZHNFLHYOFXQIOW-LPYZJUEESA-N
Melting Point 233-235C
Molecular Weight 782.96
Solvent Deuterium oxide/Deuterium chloride; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms QUININE, SULFATE, DIHYDRATE