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(2R,3R)-2-(4-fluorophenyl)-3-hydroxy-1-piperidinecarboxylic acid (phenylmethyl) ester
SpectraBase Compound ID EByYpHa08Lf
InChI InChI=1S/C19H20FNO3/c20-16-10-8-15(9-11-16)18-17(22)7-4-12-21(18)19(23)24-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17-18,22H,4,7,12-13H2/t17-,18-/m1/s1
InChIKey GJARQBNUSZPNJO-QZTJIDSGSA-N
Mol Weight 329.37 g/mol
Molecular Formula C19H20FNO3
Exact Mass 329.142722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AZY6cWCkGZa
Name (2R,3R)-2-(4-Fluorophenyl)-3-hydroxy-1-piperidinecarboxylic acid (phenylmethyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 329.142721668 u
Formula C19H20FNO3
InChI InChI=1S/C19H20FNO3/c20-16-10-8-15(9-11-16)18-17(22)7-4-12-21(18)19(23)24-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17-18,22H,4,7,12-13H2/t17-,18-/m1/s1
InChIKey GJARQBNUSZPNJO-QZTJIDSGSA-N
Molecular Weight 329.371 g/mol
SMILES C(N1[C@](C2=CC=C(C=C2)F)([C@](O)(CCC1)[H])[H])(OCC=1C=CC=CC1)=O