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threo-4-Fluoromethylphenidate

View entire compound with spectra: 1 MS (GC)

threo-4-Fluoromethylphenidate
SpectraBase Compound ID 9CXJLaay8JB
InChI InChI=1S/C14H18FNO2/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10/h5-8,12-13,16H,2-4,9H2,1H3/t12?,13-/m0/s1
InChIKey XISBAJBPDVRSPG-ABLWVSNPSA-N
Mol Weight 251.3 g/mol
Molecular Formula C14H18FNO2
Exact Mass 251.132157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BL55gmeaSbO
Name threo-4-Fluoromethylphenidate
Alternate Name(s) (.alpha.R,2R)-rel-.alpha.-(4-fluorophenyl)-2-piperidineacetic acid, methyl ester Methyl (2S)-2-(4-fluorophenyl)-2-(piperidin-2-yl)acetate
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Formula C14H18FNO2
InChI InChI=1S/C14H18FNO2/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10/h5-8,12-13,16H,2-4,9H2,1H3/t12?,13-/m0/s1
InChIKey XISBAJBPDVRSPG-ABLWVSNPSA-N
Molecular Weight 251.301 g/mol
SMILES N1C(CCCC1)[C@](c1ccc(cc1)F)(C(=O)OC)[H]
SPLASH splash10-001i-9500000000-8d4cd0b32f613caec728
Source of Spectrum SWG-33-4537-0
Wiley ID 1811137