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Methaqualone HFB
SpectraBase Compound ID 9evbmAH0BDJ
InChI InChI=1S/C20H13F7N2O2/c1-11-6-2-5-9-14(11)29-16(28-13-8-4-3-7-12(13)17(29)31)10-15(30)18(21,22)19(23,24)20(25,26)27/h2-9H,10H2,1H3
InChIKey TZPHKHADHJVEPU-UHFFFAOYSA-N
Mol Weight 446.32 g/mol
Molecular Formula C20H13F7N2O2
Exact Mass 446.086525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZAjrwPzLJb
Name Methaqualone HFB
Classification Hypnotic
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Exact Mass 446.086524806 u
Formula C20H13F7N2O2
InChI InChI=1S/C20H13F7N2O2/c1-11-6-2-5-9-14(11)29-16(28-13-8-4-3-7-12(13)17(29)31)10-15(30)18(21,22)19(23,24)20(25,26)27/h2-9H,10H2,1H3
InChIKey TZPHKHADHJVEPU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 446.325 g/mol
Related CAS Registry Number(s) 72-44-6
SMILES c1ccc(N2C(=Nc3ccccc3C2=O)CC(C(C(C(F)(F)F)(F)F)(F)F)=O)c(C)c1
SPLASH splash10-004r-1290100000-97ba2ebc44c9b3da5379
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_5071