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1-HEXYL-3-(4-PHENOXYBUTYL)-1H-IMIDAZOL-3-IUM-TRIFLUOROACETATE

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1-HEXYL-3-(4-PHENOXYBUTYL)-1H-IMIDAZOL-3-IUM-TRIFLUOROACETATE
SpectraBase Compound ID IM6mkew3xCs
InChI InChI=1S/C19H29N2O.C2HF3O2/c1-2-3-4-8-13-20-15-16-21(18-20)14-9-10-17-22-19-11-6-5-7-12-19;3-2(4,5)1(6)7/h5-7,11-12,15-16,18H,2-4,8-10,13-14,17H2,1H3;(H,6,7)/q+1;/p-1
InChIKey BUIGMDFNVBBZAY-UHFFFAOYSA-M
Mol Weight 414.47 g/mol
Molecular Formula C21H29F3N2O3
Exact Mass 414.213027 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9XoYtwtHNm4
Name 1-HEXYL-3-(4-PHENOXYBUTYL)-1H-IMIDAZOL-3-IUM-TRIFLUOROACETATE
Compound Number 33
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H29F3N2O3
InChI InChI=1S/C19H29N2O.C2HF3O2/c1-2-3-4-8-13-20-15-16-21(18-20)14-9-10-17-22-19-11-6-5-7-12-19;3-2(4,5)1(6)7/h5-7,11-12,15-16,18H,2-4,8-10,13-14,17H2,1H3;(H,6,7)/q+1;/p-1
InChIKey BUIGMDFNVBBZAY-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 UWIR15058