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4-Fluoromethylphenidate TFA
SpectraBase Compound ID 5RX00LHFPN
InChI InChI=1S/C16H17F4NO3/c1-24-14(22)13(10-5-7-11(17)8-6-10)12-4-2-3-9-21(12)15(23)16(18,19)20/h5-8,12-13H,2-4,9H2,1H3
InChIKey KUCQYPHDWUMZFP-UHFFFAOYSA-N
Mol Weight 347.31 g/mol
Molecular Formula C16H17F4NO3
Exact Mass 347.114456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID VcsouYiVU
Name 4-Fluoromethylphenidate TFA
Classification Stimulant
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Exact Mass 347.114456060 u
Formula C16H17NO3F4
InChI InChI=1S/C16H17F4NO3/c1-24-14(22)13(10-5-7-11(17)8-6-10)12-4-2-3-9-21(12)15(23)16(18,19)20/h5-8,12-13H,2-4,9H2,1H3
InChIKey KUCQYPHDWUMZFP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 347.310 g/mol
SMILES c1c(F)ccc(C(C2N(CCCC2)C(=O)C(F)(F)F)C(=O)OC)c1
SPLASH splash10-001i-2900000000-a7dc7d3053f65945a6fa
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_10514