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4-(4-METHYLTHIOPHENYL)-3-(4-FLUOROPHENYL)-3-BUTENE-2-ONE
SpectraBase Compound ID sRNSktnfZJ
InChI InChI=1S/C17H15FOS/c1-12(19)17(14-5-7-15(18)8-6-14)11-13-3-9-16(20-2)10-4-13/h3-11H,1-2H3/b17-11-
InChIKey VVROPMKVZLUPGK-BOPFTXTBSA-N
Mol Weight 286.36 g/mol
Molecular Formula C17H15FOS
Exact Mass 286.082764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AVXlheSxzFJ
Name 4-(4-METHYLTHIOPHENYL)-3-(4-FLUOROPHENYL)-3-BUTENE-2-ONE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H15FOS
InChI InChI=1S/C17H15FOS/c1-12(19)17(14-5-7-15(18)8-6-14)11-13-3-9-16(20-2)10-4-13/h3-11H,1-2H3/b17-11-
InChIKey VVROPMKVZLUPGK-BOPFTXTBSA-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 286.364 g/mol
Sample ID 45060
Solvent CDCl3