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DOI TFA
SpectraBase Compound ID FPU2lTsO5I3
InChI InChI=1S/C13H15F3INO3/c1-7(18-12(19)13(14,15)16)4-8-5-11(21-3)9(17)6-10(8)20-2/h5-7H,4H2,1-3H3,(H,18,19)
InChIKey QVWLZXDQSXYTFI-UHFFFAOYSA-N
Mol Weight 417.17 g/mol
Molecular Formula C13H15F3INO3
Exact Mass 417.004873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3V2kf74mZM
Name DOI TFA
Classification Designer drug
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Exact Mass 417.004872833 u
Formula C13H15NO3F3I
InChI InChI=1S/C13H15F3INO3/c1-7(18-12(19)13(14,15)16)4-8-5-11(21-3)9(17)6-10(8)20-2/h5-7H,4H2,1-3H3,(H,18,19)
InChIKey QVWLZXDQSXYTFI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 417.167 g/mol
SMILES c1(cc(CC(NC(=O)C(F)(F)F)C)c(cc1I)OC)OC
SPLASH splash10-004i-5492100000-23f259fae9b1c2d8bd7d
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
Synonyms 4-Iodo-2,5-dimethoxy-amfetamine TFA
Technique GC/MS
Wiley ID MMPW6e_7176