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Quinine

View entire compound with spectra: 17 MS (GC)

Quinine
SpectraBase Compound ID a0JKoeBXJH
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-BVVYEMPESA-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 5pIR5cEf5P8
Name Quinine
CAS Registry Number 130-95-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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-BVVYEMPESA-N
Molecular Weight 324.424 g/mol
SMILES OC(C1N2CC[C@@]([C@](C2)(C=C)[H])(C1)[H])c1ccnc2c1cc(cc2)OC
SPLASH splash10-000i-2900000000-ecd072123e253f39ce0e
Synonyms (+)-Quindine Cinchonan-9-ol, 6'-methoxy-, (8.alpha.,9R)- 6'-Methoxycinchonan-9-ol (+)-Quinidine (-)-Quinine (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methanol (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol (6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol (8-alpha,9R)-6'-methoxycinchonan-9-ol (8.alpha.,9R)-6'-methoxycinchonan-9-ol (8R,9S)-6'-Methoxycinchonan-9-ol (8S,9R)-6'-Methoxycinchonan-9-ol (8S,9R)-Quinine (9S)-6'-Methoxycinchonan-9-ol .alpha.-(6-Methoxy-4-quinolyl)-5-vinyl-2-quinuclidinemethanol .alpha.-(6-methoxy-4-quinoyl)-5-vinyl-2-quinclidinemethanol .beta.-Quinidine .beta.-Quinine 2-Quinuclidinemethanol, .alpha.-(6-methoxy-4-quinolyl)-5-vinyl- 6'-Methoxycinchonidine 6'-Methoxycinchonine 6-Methoxy-.alpha.-(5-vinyl-2-quinuclidinyl)-4-quinolinemethanol 6-Methoxycinchonine Aflukin Biquinate (*bisulfate heptathydrate*) Cardioquin Chinidin Chinin Chinine Cin-quin Cinchonan-9-ol, 6'-methoxy- Cinchonan-9-ol, 6'-methoxy-, (8-alpha,9R)- Cinchonan-9-ol, 6'-methoxy-, (8.alpha.,9R)-, sulfate Cinchonan-9-ol, 6'-methoxy-, (9S)- Coco-quinine Conchinin Conchinine Conquinine Dentojel (*bisulfate heptathydrate*) Kinidin Pitayin Pitayine Quinaglute Quinamm (*2:1 sulfate salt*), dihydrate Quindine Quine (*2:1 sulfate salt*, dihydrate) Quinicardine Quinidex Quinidine Quinine anhydrous Quinoline alkaloid Quinsan (*2:1 sulfate salt*), dihydrate CCRIS 5755 EINECS 205-003-2 HSDB 2501 NCI-C56246 NSC 192949 NSC 5362
Wiley ID 1509241