| SpectraBase Spectrum ID |
8JrhDgEfVIG |
| Name |
Quinine |
| CAS Registry Number |
130-95-0 |
| Classification |
Pharmaceutical drug, antimalarial |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
324.183778019 u |
| 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-/m1/s1 |
| InChIKey |
LOUPRKONTZGTKE-UYVJDWJCSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
324.424 g/mol |
| Nominal Mass |
324 u |
| Quality |
946 |
| Retention Index |
2803 |
| SMILES |
O[C@@]([C@@]1(N2C[C@]([C@@](C1)(CC2)[H])(C=C)[H])[H])(C=1C=2C(=CC=C(C2)OC)N=CC1)[H] |
| SPLASH |
splash10-000i-6900000000-079c41685b47c2411ba3 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Chinin
6'-Methoxycinchonan-9-ol
(5-Etheneyl-1-azabicyclo[2.2.2]oct-2-yl)-(6-methoxyquinolin-4-yl)methanol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_017263 |
