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Methylphenidate TFA
SpectraBase Compound ID 535JvuhIpXK
InChI InChI=1S/C16H18F3NO3/c1-23-14(21)13(11-7-3-2-4-8-11)12-9-5-6-10-20(12)15(22)16(17,18)19/h2-4,7-8,12-13H,5-6,9-10H2,1H3
InChIKey VWHAIRLERWBGPH-UHFFFAOYSA-N
Mol Weight 329.32 g/mol
Molecular Formula C16H18F3NO3
Exact Mass 329.123878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13aHv8YCI2y
Name Methylphenidate TFA @
Classification Stimulant
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Exact Mass 329.123877930 u
Formula C16H18F3NO3
InChI InChI=1S/C16H18F3NO3/c1-23-14(21)13(11-7-3-2-4-8-11)12-9-5-6-10-20(12)15(22)16(17,18)19/h2-4,7-8,12-13H,5-6,9-10H2,1H3
InChIKey VWHAIRLERWBGPH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 329.319 g/mol
SMILES c1ccc(C(C2N(C(C(F)(F)F)=O)CCCC2)C(=O)OC)cc1
SPLASH splash10-00lr-8900000000-6dc93253e50c44bf7139
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 Ritalinic acid METFA
Technique GC/MS
Wiley ID MMPW6e_4005