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N-METHYL-4-(3,4-DIMETHOXYPHENYL)-5-(2,3,4-TRIMETHOXYPHENYL)-ISOXAZOLIUM-TETRAFLUOROBORATE
SpectraBase Compound ID 1d2u3UiqNYD
InChI InChI=1S/C21H24NO6.BF4/c1-22-12-15(13-7-9-16(23-2)18(11-13)25-4)19(28-22)14-8-10-17(24-3)21(27-6)20(14)26-5;2-1(3,4)5/h7-12H,1-6H3;/q+1;-1
InChIKey HWXAXFPTSQGHBA-UHFFFAOYSA-N
Mol Weight 473.23 g/mol
Molecular Formula C21H24BF4NO6
Exact Mass 473.16328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6NCk3kvBUeX
Name N-METHYL-4-(3,4-DIMETHOXYPHENYL)-5-(2,3,4-TRIMETHOXYPHENYL)-ISOXAZOLIUM-TETRAFLUOROBORATE
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24BF4NO6
InChI InChI=1S/C21H24NO6.BF4/c1-22-12-15(13-7-9-16(23-2)18(11-13)25-4)19(28-22)14-8-10-17(24-3)21(27-6)20(14)26-5;2-1(3,4)5/h7-12H,1-6H3;/q+1;-1
InChIKey HWXAXFPTSQGHBA-UHFFFAOYSA-N
Literature Reference Author E.DOMINGUEZ,E.IBEAS,E.M.DEMARIGORTA,J.K.PALACIOS,R.SANMARTIN
Literature Reference Citation J.ORG.CHEM.,61,5435(1996)
Literature Reference DOI 10.1021/jo960024h
Molecular Weight 473.228 g/mol
Solvent DMSO-D6
Source File Reference UWKP399