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Mefloquine -H2O AC
SpectraBase Compound ID 4R9maMp7mDR
InChI InChI=1S/C19H16F6N2O/c1-11(28)27-8-3-2-5-13(27)9-12-10-16(19(23,24)25)26-17-14(12)6-4-7-15(17)18(20,21)22/h4,6-7,9-10H,2-3,5,8H2,1H3/b13-9+
InChIKey OMEMJQGQCMQISW-UKTHLTGXSA-N
Mol Weight 402.34 g/mol
Molecular Formula C19H16F6N2O
Exact Mass 402.116682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pcxaPermxP
Name Mefloquine -H2O AC
Classification Antimalarial
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Exact Mass 402.116682120 u
Formula C19H16F6N2O
InChI InChI=1S/C19H16F6N2O/c1-11(28)27-8-3-2-5-13(27)9-12-10-16(19(23,24)25)26-17-14(12)6-4-7-15(17)18(20,21)22/h4,6-7,9-10H,2-3,5,8H2,1H3/b13-9+
InChIKey OMEMJQGQCMQISW-UKTHLTGXSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 402.340 g/mol
SMILES c1(cccc2c(\C=C/3N(CCCC3)C(C)=O)cc(nc12)C(F)(F)F)C(F)(F)F
SPLASH splash10-001i-9312100000-a9a04c6367729c904116
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_3207