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Quinine monohydrochloride dihydrate

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Quinine monohydrochloride dihydrate
SpectraBase Compound ID 3I3K5EuZNZQ
InChI InChI=1S/C20H24N2O2.ClH.2H2O/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H;2*1H2/t13-,14-,19-,20+;;;/m0.../s1
InChIKey MPQKYZPYCSTMEI-FLZPLBAKSA-N
Mol Weight 396.915 g/mol
Molecular Formula C20H29ClN2O4
Exact Mass 396.181585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JaXvXkOb9aa
Name QUININE, MONOHYDROCHLORIDE, DIHYDRATE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N2O2 HCl 2H2O
InChI InChI=1S/C20H24N2O2.ClH.2H2O/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H;2*1H2/t13-,14-,19-,20+;;;/m0.../s1
InChIKey MPQKYZPYCSTMEI-FLZPLBAKSA-N
Melting Point 115-116C (dec.)
Molecular Weight 396.92
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms QUININE, HYDROCHLORIDE, DIHYDRATE