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Quinine  (anhydrous)
SpectraBase Compound ID 6s2iLnhXzxf
InChI InChI=1S/C20H24N2O2/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/t13-,14-,19-,20+/m0/s1
InChIKey LOUPRKONTZGTKE-WZBLMQSHSA-N
Mol Weight 324.42 g/mol
Molecular Formula C20H24N2O2
Exact Mass 324.183778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GoshGTxxbdB
Name Quinine
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Formula C20H24N2O2
InChI InChI=1S/C20H24N2O2/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/t13-,14-,19-,20+/m0/s1
InChIKey LOUPRKONTZGTKE-WZBLMQSHSA-N
SMILES O[C@@]([C@]1(N2C[C@@]([C@](C1)(CC2)[H])(C=C)[H])[H])(c1ccnc2c1cc(cc2)OC)[H]
SPLASH splash10-000i-2900000000-03815477fb6f1027383a
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences