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4-(4-FLUOROPHENYL)-5-(4-METHYLTHIOPHENYL)-3-METHYL-ISOXAZOLE
SpectraBase Compound ID 591nJewsyVn
InChI InChI=1S/C17H14FNOS/c1-11-16(12-3-7-14(18)8-4-12)17(20-19-11)13-5-9-15(21-2)10-6-13/h3-10H,1-2H3
InChIKey JZYZLDVKLNIQRS-UHFFFAOYSA-N
Mol Weight 299.36 g/mol
Molecular Formula C17H14FNOS
Exact Mass 299.078013 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E0i5efUizdI
Name 4-(4-FLUOROPHENYL)-5-(4-METHYLTHIOPHENYL)-3-METHYL-ISOXAZOLE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H14FNOS
InChI InChI=1S/C17H14FNOS/c1-11-16(12-3-7-14(18)8-4-12)17(20-19-11)13-5-9-15(21-2)10-6-13/h3-10H,1-2H3
InChIKey JZYZLDVKLNIQRS-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
Molecular Weight 299.363 g/mol
Sample ID 45062
Solvent CDCl3