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2,3-DIMETHYL-4-(4-FLUOROPHENYL)-5-(4-METHYLSULFONYLPHENYL)-4-ISOXAZOLINE
SpectraBase Compound ID E8I0uc0Kmnk
InChI InChI=1S/C18H18FNO3S/c1-12-17(13-4-8-15(19)9-5-13)18(23-20(12)2)14-6-10-16(11-7-14)24(3,21)22/h4-12H,1-3H3
InChIKey CARDZWUJKAFXIX-UHFFFAOYSA-N
Mol Weight 347.4 g/mol
Molecular Formula C18H18FNO3S
Exact Mass 347.099143 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4vINMGUCIfD
Name 2,3-DIMETHYL-4-(4-FLUOROPHENYL)-5-(4-METHYLSULFONYLPHENYL)-4-ISOXAZOLINE
Compound Number 13K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18FNO3S
InChI InChI=1S/C18H18FNO3S/c1-12-17(13-4-8-15(19)9-5-13)18(23-20(12)2)14-6-10-16(11-7-14)24(3,21)22/h4-12H,1-3H3
InChIKey CARDZWUJKAFXIX-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 347.404 g/mol
Sample ID 45072
Solvent CDCl3