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Chloroquine
SpectraBase Compound ID K8Z0phCkvz0
InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
InChIKey WHTVZRBIWZFKQO-UHFFFAOYSA-N
Mol Weight 319.88 g/mol
Molecular Formula C18H26ClN3
Exact Mass 319.181526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGaXDrHWLpY
Name Chloroquine
CAS Registry Number 54-05-7
Classification Pharmaceutical drug, antimalarial
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 319.181525549 u
Formula C18H26ClN3
InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
InChIKey WHTVZRBIWZFKQO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 319.880 g/mol
Nominal Mass 319 u
Quality 1000
Retention Index 2590
SMILES C=1(C2=C(C=C(C=C2)Cl)N=CC1)NC(CCCN(CC)CC)C
SPLASH splash10-000i-9310000000-9977c992bbca56dae51a
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Chloroquin Resochin N'-(7-Chloroquinolin-4-yl)-N,N-diethyl-pentane-1,4-diamine
Technique GC/MS
Wiley ID DD2024_014831