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5-(4-METHYLTHIOPHENYL)-2-METHYL-4-PHENYL-4-ISOXAZOLINE
SpectraBase Compound ID TTsg5F0VAs
InChI InChI=1S/C17H17NOS/c1-18-12-16(13-6-4-3-5-7-13)17(19-18)14-8-10-15(20-2)11-9-14/h3-11H,12H2,1-2H3
InChIKey UFKINCCQLHMPNJ-UHFFFAOYSA-N
Mol Weight 283.39 g/mol
Molecular Formula C17H17NOS
Exact Mass 283.103085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hc5qFfkTvIb
Name 5-(4-METHYLTHIOPHENYL)-2-METHYL-4-PHENYL-4-ISOXAZOLINE
Compound Number 13D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H17NOS
InChI InChI=1S/C17H17NOS/c1-18-12-16(13-6-4-3-5-7-13)17(19-18)14-8-10-15(20-2)11-9-14/h3-11H,12H2,1-2H3
InChIKey UFKINCCQLHMPNJ-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 283.388 g/mol
Sample ID 45068
Solvent CDCl3