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5-(4-BROMOPHENYL)-3-(1-PHENYLALLYL)-3-TRIFLUOROMETHYL-3H-THIOPHEN-2-ONE
SpectraBase Compound ID B1jJ1NogzLM
InChI InChI=1S/C20H14BrF3OS/c1-2-16(13-6-4-3-5-7-13)19(20(22,23)24)12-17(26-18(19)25)14-8-10-15(21)11-9-14/h2-12,16H,1H2
InChIKey XFVSQDRKVIBFQF-UHFFFAOYSA-N
Mol Weight 439.29 g/mol
Molecular Formula C20H14BrF3OS
Exact Mass 437.990084 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6jY7DpEPbA9
Name 5-(4-BROMOPHENYL)-3-(1-PHENYLALLYL)-3-TRIFLUOROMETHYL-3H-THIOPHEN-2-ONE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H14BrF3OS
InChI InChI=1S/C20H14BrF3OS/c1-2-16(13-6-4-3-5-7-13)19(20(22,23)24)12-17(26-18(19)25)14-8-10-15(21)11-9-14/h2-12,16H,1H2
InChIKey XFVSQDRKVIBFQF-UHFFFAOYSA-N
Literature Reference Author K.BURGER,L.HENNIG,A.FUCHS,D.GREIF,J.SPENGLER,F.ALBERICIO
Literature Reference Citation MH.CHEM.,136,1763(2005)
Literature Reference DOI 10.1007/s00706-005-0366-z
Solvent CDCl3
Source File Reference UWSI24213