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Fenetylline TFA
SpectraBase Compound ID BTgn5VaDj1a
InChI InChI=1S/C20H22F3N5O3/c1-13(11-14-7-5-4-6-8-14)28(18(30)20(21,22)23)10-9-27-12-24-16-15(27)17(29)26(3)19(31)25(16)2/h4-8,12-13H,9-11H2,1-3H3
InChIKey WJDMDSFALROWLK-UHFFFAOYSA-N
Mol Weight 437.42 g/mol
Molecular Formula C20H22F3N5O3
Exact Mass 437.167474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQUMvuk4mKt
Name Fenetylline TFA
Classification Stimulant
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Exact Mass 437.167474074 u
Formula C20H22F3N5O3
InChI InChI=1S/C20H22F3N5O3/c1-13(11-14-7-5-4-6-8-14)28(18(30)20(21,22)23)10-9-27-12-24-16-15(27)17(29)26(3)19(31)25(16)2/h4-8,12-13H,9-11H2,1-3H3
InChIKey WJDMDSFALROWLK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 437.423 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)C)[n](CCN(C(C(F)(F)F)=O)C(Cc2ccccc2)C)cn1
SPLASH splash10-014l-9843000000-c9bccac7adab94f270d0
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_5056