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2,3-DIMETHYL-5-(4-METHYLSULFONYLPHENYL)-4-PHENYL-4-ISOXAZOLINE
SpectraBase Compound ID KCYRlvXt2tz
InChI InChI=1S/C18H19NO3S/c1-13-17(14-7-5-4-6-8-14)18(22-19(13)2)15-9-11-16(12-10-15)23(3,20)21/h4-13H,1-3H3
InChIKey WHDGULRDPVFQTJ-UHFFFAOYSA-N
Mol Weight 329.41 g/mol
Molecular Formula C18H19NO3S
Exact Mass 329.108565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HGuBntgWvcd
Name 2,3-DIMETHYL-5-(4-METHYLSULFONYLPHENYL)-4-PHENYL-4-ISOXAZOLINE
Compound Number 13J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H19NO3S
InChI InChI=1S/C18H19NO3S/c1-13-17(14-7-5-4-6-8-14)18(22-19(13)2)15-9-11-16(12-10-15)23(3,20)21/h4-13H,1-3H3
InChIKey WHDGULRDPVFQTJ-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 329.414 g/mol
Sample ID 45071
Solvent CDCl3