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1-benzyl-1-methylpiperidin-1-ium-4-one; trifluoromethanesulfonate

View entire compound with spectra: 1 NMR

1-benzyl-1-methylpiperidin-1-ium-4-one; trifluoromethanesulfonate
SpectraBase Compound ID 64wpIGkImoF
InChI InChI=1S/C13H18NO.CHF3O3S/c1-14(9-7-13(15)8-10-14)11-12-5-3-2-4-6-12;2-1(3,4)8(5,6)7/h2-6H,7-11H2,1H3;(H,5,6,7)/q+1;/p-1
InChIKey RCEOHHWOIUSRHO-UHFFFAOYSA-M
Mol Weight 353.36 g/mol
Molecular Formula C14H18F3NO4S
Exact Mass 353.090864 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 17Zs4wSO29M
Name 1-benzyl-1-methylpiperidin-1-ium-4-one; trifluoromethanesulfonate
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H18F3NO4S
InChI InChI=1S/C13H18NO.CHF3O3S/c1-14(9-7-13(15)8-10-14)11-12-5-3-2-4-6-12;2-1(3,4)8(5,6)7/h2-6H,7-11H2,1H3;(H,5,6,7)/q+1;/p-1
InChIKey RCEOHHWOIUSRHO-UHFFFAOYSA-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 353.356 g/mol
Sample ID 26523
Solvent CD3CN:D2O