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threo-Propylphenidate

View entire compound with spectra: 1 MS (GC)

threo-Propylphenidate
SpectraBase Compound ID 5L11GcFeaaW
InChI InChI=1S/C16H23NO2/c1-2-12-19-16(18)15(13-8-4-3-5-9-13)14-10-6-7-11-17-14/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3/t14?,15-/m0/s1
InChIKey PRMWWEANNQSWAR-LOACHALJSA-N
Mol Weight 261.36 g/mol
Molecular Formula C16H23NO2
Exact Mass 261.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5lXbzVXoVU
Name threo-Propylphenidate
Alternate Name(s) (R,R)-rel-.alpha.-phenyl-2-piperidineacetic acid, propyl ester Propyl (2S)-2-phenyl-2-(piperidin-2-yl)acetate
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Formula C16H23NO2
InChI InChI=1S/C16H23NO2/c1-2-12-19-16(18)15(13-8-4-3-5-9-13)14-10-6-7-11-17-14/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3/t14?,15-/m0/s1
InChIKey PRMWWEANNQSWAR-LOACHALJSA-N
Molecular Weight 261.365 g/mol
SMILES N1C(CCCC1)[C@](c1ccccc1)(C(=O)OCCC)[H]
SPLASH splash10-001i-9100000000-e108ff3a28045de5ba33
Source of Spectrum SWG-33-4653-0
Wiley ID 1811249