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5-(4-BROMOPHENYL)-3-PENT-2-ENYL-3-TRIFLUOROMETHYL-3H-THIOPHEN-2-ONE
SpectraBase Compound ID BGOzTCxm7iD
InChI InChI=1S/C16H14BrF3OS/c1-2-3-4-9-15(16(18,19)20)10-13(22-14(15)21)11-5-7-12(17)8-6-11/h3-8,10H,2,9H2,1H3/b4-3+
InChIKey QMGHOSNNBAUNKR-ONEGZZNKSA-N
Mol Weight 391.25 g/mol
Molecular Formula C16H14BrF3OS
Exact Mass 389.990084 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8c7mRBkiUt8
Name 5-(4-BROMOPHENYL)-3-PENT-2-ENYL-3-TRIFLUOROMETHYL-3H-THIOPHEN-2-ONE
Compound Number 12C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H14BrF3OS
InChI InChI=1S/C16H14BrF3OS/c1-2-3-4-9-15(16(18,19)20)10-13(22-14(15)21)11-5-7-12(17)8-6-11/h3-8,10H,2,9H2,1H3/b4-3+
InChIKey QMGHOSNNBAUNKR-ONEGZZNKSA-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 391.246 g/mol
Solvent CDCl3
Source File Reference UWSI24212