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(3S,4R)-4-(4-FLUOROPHENYL)-3-HYDROXYMETHYL-1-METHYLPIPERIDINE-SALT-OF-S-MOSHER-ACID
SpectraBase Compound ID 53LaO1kPYA6
InChI InChI=1S/C13H18FNO.C10H9F3O3/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10;1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-5,11,13,16H,6-9H2,1H3;2-6H,1H3,(H,14,15)/t11-,13-;9-/m10/s1
InChIKey XJFOGDYBGPNUIL-KCYVONTKSA-N
Mol Weight 457.47 g/mol
Molecular Formula C23H27F4NO4
Exact Mass 457.187621 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID fKYBjFbgeY
Name (3S,4R)-4-(4-FLUOROPHENYL)-3-HYDROXYMETHYL-1-METHYLPIPERIDINE-SALT-OF-S-MOSHER-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H27F4NO4
InChI InChI=1S/C13H18FNO.C10H9F3O3/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10;1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-5,11,13,16H,6-9H2,1H3;2-6H,1H3,(H,14,15)/t11-,13-;9-/m10/s1
InChIKey XJFOGDYBGPNUIL-KCYVONTKSA-N
Literature Reference Author H.NAVRATILOVA
Literature Reference Citation MAGN.RES.CHEM.,39,727(2001)
Literature Reference DOI 10.1002/mrc.940
Solvent C6D6
Source File Reference UWSI24973