SpectraBase Spectrum ID |
5VsTwx9BA |
Name |
Cinchonine AC |
Classification |
Antimalarial |
Comments |
Structure comment: Wiggly bond = unknown position of substituent |
Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
336.183778019 u |
Formula |
C21H24N2O2 |
InChI |
InChI=1S/C21H24N2O2/c1-3-15-13-23-11-9-16(15)12-20(23)21(25-14(2)24)18-8-10-22-19-7-5-4-6-17(18)19/h3-8,10,15-16,20-21H,1,9,11-13H2,2H3 |
InChIKey |
NDBICTMGDYGBFE-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
336.435 g/mol |
SMILES |
C1C(C(c2ccnc3ccccc23)OC(C)=O)N2CC(C1CC2)C=C |
SPLASH |
splash10-000i-4931000000-29671c396b835702f2e5 |
Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
Technique |
GC/MS |
Wiley ID |
MMPW6e_2002 |