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Amodiaquine AC
SpectraBase Compound ID Kiltjo30zJV
InChI InChI=1S/C22H24ClN3O2/c1-4-26(5-2)14-16-12-18(7-9-22(16)28-15(3)27)25-20-10-11-24-21-13-17(23)6-8-19(20)21/h6-13H,4-5,14H2,1-3H3,(H,24,25)
InChIKey DSQMYCQQZQRURO-UHFFFAOYSA-N
Mol Weight 397.91 g/mol
Molecular Formula C22H24ClN3O2
Exact Mass 397.155705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VHro2CwFs
Name Amodiaquine AC
Classification Antimalarial
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Exact Mass 397.155704723 u
Formula C22H24N3O2Cl
InChI InChI=1S/C22H24ClN3O2/c1-4-26(5-2)14-16-12-18(7-9-22(16)28-15(3)27)25-20-10-11-24-21-13-17(23)6-8-19(20)21/h6-13H,4-5,14H2,1-3H3,(H,24,25)
InChIKey DSQMYCQQZQRURO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 397.906 g/mol
SMILES CC(Oc1c(cc(cc1)Nc1c2ccc(cc2ncc1)Cl)CN(CC)CC)=O
SPLASH splash10-001i-2291000000-5de6efd4e11d8df0a35f
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_6889