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Amodiaquine 2AC
SpectraBase Compound ID 2JOwBouvW7G
InChI InChI=1S/C24H26ClN3O3/c1-5-27(6-2)15-18-13-20(8-10-24(18)31-17(4)30)28(16(3)29)23-11-12-26-22-14-19(25)7-9-21(22)23/h7-14H,5-6,15H2,1-4H3
InChIKey VTOIKOFIXQETCF-UHFFFAOYSA-N
Mol Weight 439.94 g/mol
Molecular Formula C24H26ClN3O3
Exact Mass 439.166269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I8FTtn48cPI
Name Amodiaquine 2AC
Classification Antimalarial
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 439.166269406 u
Formula C24H26N3O3Cl
InChI InChI=1S/C24H26ClN3O3/c1-5-27(6-2)15-18-13-20(8-10-24(18)31-17(4)30)28(16(3)29)23-11-12-26-22-14-19(25)7-9-21(22)23/h7-14H,5-6,15H2,1-4H3
InChIKey VTOIKOFIXQETCF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 439.943 g/mol
SMILES CC(N(c1c2ccc(cc2ncc1)Cl)c1ccc(c(c1)CN(CC)CC)OC(C)=O)=O
SPLASH splash10-001i-1291000000-4b60c2198879c8c02374
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_7838