| SpectraBase Spectrum ID |
JFriTwPZiK0 |
| Name |
Quinine AC |
| CAS Registry Number |
18797-86-9 |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
366.194342702 u |
| Formula |
C22H26N2O3 |
| InChI |
InChI=1S/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,15-16,21-22H,1,8,10-11,13H2,2-3H3/t15-,16-,21-,22-/m1/s1 |
| InChIKey |
LBXIBQQYUBUMMK-AHWCRGGASA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
366.461 g/mol |
| Nominal Mass |
366 u |
| Quality |
994 |
| Retention Index |
3015 |
| SMILES |
[C@]1([C@@](C=2C=3C(=CC=C(C3)OC)N=CC2)(OC(=O)C)[H])(N2C[C@]([C@@](C1)(CC2)[H])(C=C)[H])[H] |
| SPLASH |
splash10-000i-3900000000-b89a9eb5c74a6035d7bb |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
((5R)-5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)(6-methoxyquinolin-4-yl)methyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033067 |
