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Benfluorex-M/artifact 2AC
SpectraBase Compound ID CogPzWD6cC3
InChI InChI=1S/C16H20F3NO3/c1-11(20(12(2)21)7-8-23-13(3)22)9-14-5-4-6-15(10-14)16(17,18)19/h4-6,10-11H,7-9H2,1-3H3
InChIKey ZZULTYUSUAHDKN-UHFFFAOYSA-N
Mol Weight 331.34 g/mol
Molecular Formula C16H20F3NO3
Exact Mass 331.139528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TqTLOKqB6
Name Benfluorex-M/artifact 2AC
Classification Antilipemic
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Exact Mass 331.139527994 u
Formula C16H20F3NO3
InChI InChI=1S/C16H20F3NO3/c1-11(20(12(2)21)7-8-23-13(3)22)9-14-5-4-6-15(10-14)16(17,18)19/h4-6,10-11H,7-9H2,1-3H3
InChIKey ZZULTYUSUAHDKN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 331.335 g/mol
SMILES C(c1cc(CC(N(C(=O)C)CCOC(=O)C)C)ccc1)(F)(F)F
SPLASH splash10-008i-3910000000-7a42667db86123aa8f90
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.
Sample Preparation Procedure Detected: UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Benfluorex-M/artifact (alcohol) 2AC
Technique GC/MS
Wiley ID MMPW6e_4710