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1-PENTYL-3-(4-PHENOXYBUTYL)-1H-IMIDAZOL-3-IUM-TRIFLUOROACETATE
SpectraBase Compound ID IrExwOhC5oa
InChI InChI=1S/C18H27N2O.C2HF3O2/c1-2-3-7-12-19-14-15-20(17-19)13-8-9-16-21-18-10-5-4-6-11-18;3-2(4,5)1(6)7/h4-6,10-11,14-15,17H,2-3,7-9,12-13,16H2,1H3;(H,6,7)/q+1;/p-1
InChIKey NXVDDTRFUCHCRJ-UHFFFAOYSA-M
Mol Weight 400.44 g/mol
Molecular Formula C20H27F3N2O3
Exact Mass 400.197377 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8APzLZ4nitB
Name 1-PENTYL-3-(4-PHENOXYBUTYL)-1H-IMIDAZOL-3-IUM-TRIFLUOROACETATE
Compound Number 27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H27F3N2O3
InChI InChI=1S/C18H27N2O.C2HF3O2/c1-2-3-7-12-19-14-15-20(17-19)13-8-9-16-21-18-10-5-4-6-11-18;3-2(4,5)1(6)7/h4-6,10-11,14-15,17H,2-3,7-9,12-13,16H2,1H3;(H,6,7)/q+1;/p-1
InChIKey NXVDDTRFUCHCRJ-UHFFFAOYSA-M
Literature Reference Author M.MESSALI,M.R.AOUAD,W.S.EL-SAYED,A.A.S.ALI,T.B.HADDA,B.HAMMO UTI
Literature Reference Citation MOLECULES,19,11741(2014)
Literature Reference DOI 10.3390/molecules190811741
Solvent CDCl3
Source File Reference UWIR15055