| SpectraBase Spectrum ID |
JJEGgDyaVSy |
| Name |
Quinine ethylcarbonate |
| 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 |
396.204907386 u |
| Formula |
C23H28N2O4 |
| InChI |
InChI=1S/C23H28N2O4/c1-4-15-14-25-11-9-16(15)12-21(25)22(29-23(26)28-5-2)18-8-10-24-20-7-6-17(27-3)13-19(18)20/h4,6-8,10,13,15-16,21-22H,1,5,9,11-12,14H2,2-3H3/t15-,16-,21-,22-/m1/s1 |
| InChIKey |
NSBRKSWSLRQPJW-AHWCRGGASA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
396.487 g/mol |
| Nominal Mass |
396 u |
| Quality |
982 |
| Retention Index |
3223 |
| SMILES |
[C@]1([C@@](C=2C=3C(=CC=C(C3)OC)N=CC2)(OC(OCC)=O)[H])(N2C[C@]([C@@](C1)(CC2)[H])(C=C)[H])[H] |
| SPLASH |
splash10-000i-3900000000-0d5a1c657062a252b6bc |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Chininum ethylocarbonicum
Euchinin
((5R)-5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)(6-methoxyquinolin-4-yl)methyl ethyl carbonate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014043 |
