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5-(4-BROMOPHENYL)-5-(3-PHENYLALLYL)-3-TRIFLUOROMETHYL-3H-THIOPHEN-2-ONE
SpectraBase Compound ID LG2RwOspBqA
InChI InChI=1S/C20H14BrF3OS/c21-16-10-8-15(9-11-16)19(12-4-7-14-5-2-1-3-6-14)13-17(18(25)26-19)20(22,23)24/h1-11,13H,12H2/b7-4+
InChIKey YKWTXYUJFRGHFC-QPJJXVBHSA-N
Mol Weight 439.29 g/mol
Molecular Formula C20H14BrF3OS
Exact Mass 437.990084 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8l6YCXTOnzu
Name 5-(4-BROMOPHENYL)-5-(3-PHENYLALLYL)-3-TRIFLUOROMETHYL-3H-THIOPHEN-2-ONE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H14BrF3OS
InChI InChI=1S/C20H14BrF3OS/c21-16-10-8-15(9-11-16)19(12-4-7-14-5-2-1-3-6-14)13-17(18(25)26-19)20(22,23)24/h1-11,13H,12H2/b7-4+
InChIKey YKWTXYUJFRGHFC-QPJJXVBHSA-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
Molecular Weight 439.290 g/mol
Solvent CDCl3
Source File Reference UWSI24214