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(2R,6S)-1,1-dimethyl-2,6-diphenylpiperidin-1-ium-4-one; trifluoromethanesulfonate

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(2R,6S)-1,1-dimethyl-2,6-diphenylpiperidin-1-ium-4-one; trifluoromethanesulfonate
SpectraBase Compound ID CcboY5b31UT
InChI InChI=1S/C19H22NO.CHF3O3S/c1-20(2)18(15-9-5-3-6-10-15)13-17(21)14-19(20)16-11-7-4-8-12-16;2-1(3,4)8(5,6)7/h3-12,18-19H,13-14H2,1-2H3;(H,5,6,7)/q+1;/p-1/t18-,19+;
InChIKey FMYKNIMRDJLELX-AQDIUKAZSA-M
Mol Weight 429.45 g/mol
Molecular Formula C20H22F3NO4S
Exact Mass 429.122164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2PJnGbFOrex
Name (2R,6S)-1,1-dimethyl-2,6-diphenylpiperidin-1-ium-4-one; trifluoromethanesulfonate
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22F3NO4S
InChI InChI=1S/C19H22NO.CHF3O3S/c1-20(2)18(15-9-5-3-6-10-15)13-17(21)14-19(20)16-11-7-4-8-12-16;2-1(3,4)8(5,6)7/h3-12,18-19H,13-14H2,1-2H3;(H,5,6,7)/q+1;/p-1/t18-,19+;
InChIKey FMYKNIMRDJLELX-AQDIUKAZSA-M
Literature Reference Author D.YANG,Y.C.YIP,G.S.JIAO,M.K.WONG
Literature Reference Citation J.ORG.CHEM.,63,8952(1998)
Literature Reference DOI 10.1021/jo981270r
Molecular Weight 429.454 g/mol
Sample ID 26527
Solvent CD3CN:D2O