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(2S,3R,5S,6R)-1,1,3,5-tetramethyl-2,6-diphenylpiperidin-1-ium-4-one; trifluoromethanesulfonate

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(2S,3R,5S,6R)-1,1,3,5-tetramethyl-2,6-diphenylpiperidin-1-ium-4-one; trifluoromethanesulfonate
SpectraBase Compound ID BMyZeChLnW2
InChI InChI=1S/C21H26NO.CHF3O3S/c1-15-19(17-11-7-5-8-12-17)22(3,4)20(16(2)21(15)23)18-13-9-6-10-14-18;2-1(3,4)8(5,6)7/h5-16,19-20H,1-4H3;(H,5,6,7)/q+1;/p-1/t15-,16+,19+,20-;
InChIKey NLUDQOKXOWUOHV-CWLVLDDESA-M
Mol Weight 457.51 g/mol
Molecular Formula C22H26F3NO4S
Exact Mass 457.153464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LX9mk8rq8pC
Name (2S,3R,5S,6R)-1,1,3,5-tetramethyl-2,6-diphenylpiperidin-1-ium-4-one; trifluoromethanesulfonate
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26F3NO4S
InChI InChI=1S/C21H26NO.CHF3O3S/c1-15-19(17-11-7-5-8-12-17)22(3,4)20(16(2)21(15)23)18-13-9-6-10-14-18;2-1(3,4)8(5,6)7/h5-16,19-20H,1-4H3;(H,5,6,7)/q+1;/p-1/t15-,16+,19+,20-;
InChIKey NLUDQOKXOWUOHV-CWLVLDDESA-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 457.508 g/mol
Sample ID 26529
Solvent CD3CN:D2O