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4-Fluoromethylphenidate PFP
SpectraBase Compound ID JpKDcUcflnh
InChI InChI=1S/C17H17F6NO3/c1-27-14(25)13(10-5-7-11(18)8-6-10)12-4-2-3-9-24(12)15(26)16(19,20)17(21,22)23/h5-8,12-13H,2-4,9H2,1H3
InChIKey RYPKRTRTAMURBJ-UHFFFAOYSA-N
Mol Weight 397.32 g/mol
Molecular Formula C17H17F6NO3
Exact Mass 397.111262 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5wQGfuPE4g
Name 4-Fluoromethylphenidate PFP
Classification Stimulant
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Exact Mass 397.111262386 u
Formula C17H17NO3F6
InChI InChI=1S/C17H17F6NO3/c1-27-14(25)13(10-5-7-11(18)8-6-10)12-4-2-3-9-24(12)15(26)16(19,20)17(21,22)23/h5-8,12-13H,2-4,9H2,1H3
InChIKey RYPKRTRTAMURBJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 397.317 g/mol
SMILES c1cc(C(C2CCCCN2C(=O)C(F)(F)C(F)(F)F)C(=O)OC)ccc1F
SPLASH splash10-001i-1390000000-ee3ca05b5b44bed4bc32
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_10515