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Benfluorex AC
SpectraBase Compound ID 582KmgLAARg
InChI InChI=1S/C21H22F3NO3/c1-15(13-17-7-6-10-19(14-17)21(22,23)24)25(16(2)26)11-12-28-20(27)18-8-4-3-5-9-18/h3-10,14-15H,11-13H2,1-2H3
InChIKey PIKFCCXMPWVICU-UHFFFAOYSA-N
Mol Weight 393.41 g/mol
Molecular Formula C21H22F3NO3
Exact Mass 393.155178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9XhO9QWN2w
Name Benfluorex AC
Classification Antilipemic
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Exact Mass 393.155178058 u
Formula C21H22F3NO3
InChI InChI=1S/C21H22F3NO3/c1-15(13-17-7-6-10-19(14-17)21(22,23)24)25(16(2)26)11-12-28-20(27)18-8-4-3-5-9-18/h3-10,14-15H,11-13H2,1-2H3
InChIKey PIKFCCXMPWVICU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 393.406 g/mol
SMILES C(c1cc(CC(N(C(=O)C)CCOC(=O)c2ccccc2)C)ccc1)(F)(F)F
SPLASH splash10-0536-1920000000-cbbe7766d617bfee110c
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_4709