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(3R*,6R*/3R*,6S*)-1-BENZYL-6-METHYL-3-(4-NITROPHENYL)-PIPERIDIN-2-ONE
SpectraBase Compound ID JPouyJEe3Xw
InChI InChI=1S/2C19H20N2O3/c2*1-14-7-12-18(16-8-10-17(11-9-16)21(23)24)19(22)20(14)13-15-5-3-2-4-6-15/h2*2-6,8-11,14,18H,7,12-13H2,1H3/t14-,18+;14-,18-/m01/s1
InChIKey XBVSNXNFMXCGPE-OJQMOQQGSA-N
Mol Weight 648.76 g/mol
Molecular Formula C38H40N4O6
Exact Mass 648.294785 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8EOevlqlV15
Name (3R*,6R*/3R*,6S*)-1-BENZYL-6-METHYL-3-(4-NITROPHENYL)-PIPERIDIN-2-ONE
Compound Number 9C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H40N4O6
InChI InChI=1S/2C19H20N2O3/c2*1-14-7-12-18(16-8-10-17(11-9-16)21(23)24)19(22)20(14)13-15-5-3-2-4-6-15/h2*2-6,8-11,14,18H,7,12-13H2,1H3/t14-,18+;14-,18-/m01/s1
InChIKey XBVSNXNFMXCGPE-OJQMOQQGSA-N
Literature Reference Author J.F.BOWER,J.SVENDA,A.J.WILLIAMS,J.P.H.CHARMANT,R.M.LAWRENCE, P.SZETO,T.GALLAGHER
Literature Reference Citation ORG.LETTERS,6,4727(2004)
Literature Reference DOI 10.1021/ol048036+
Molecular Weight 648.759 g/mol
Sample ID 34453
Solvent CDCl3