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4-(4-FLUOROPHENYL)-5-(METHYLTHIOPHENYL)-2-METHYL-ISOXAZOLIUM-TETRAFLUOROBORATE
SpectraBase Compound ID 9dhpCx3n9uB
InChI InChI=1S/C17H15FNOS.BF4/c1-19-11-16(12-3-7-14(18)8-4-12)17(20-19)13-5-9-15(21-2)10-6-13;2-1(3,4)5/h3-11H,1-2H3;/q+1;-1
InChIKey KWKRKLNQQXOGSI-UHFFFAOYSA-N
Mol Weight 387.18 g/mol
Molecular Formula C17H15BF5NOS
Exact Mass 387.088756 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F0sHqXKmyiO
Name 4-(4-FLUOROPHENYL)-5-(METHYLTHIOPHENYL)-2-METHYL-ISOXAZOLIUM-TETRAFLUOROBORATE
Compound Number 12F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H15BF5NOS
InChI InChI=1S/C17H15FNOS.BF4/c1-19-11-16(12-3-7-14(18)8-4-12)17(20-19)13-5-9-15(21-2)10-6-13;2-1(3,4)5/h3-11H,1-2H3;/q+1;-1
InChIKey KWKRKLNQQXOGSI-UHFFFAOYSA-N
Literature Reference Author A.G.HABEEB,P.N.P.RAO,E.E.KNAUS
Literature Reference Citation J.MED.CHEM.,44,2921(2001)
Literature Reference DOI 10.1021/jm0101287
Solvent CDCl3
Source File Reference UWSI45065