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5-(4-BROMOPHENYL)-5-(3,7-DIMETHYLOCTA-2,6-DIENYL)-3-TRIFLUOROMETHYL-5H-THIOPHEN-2-ONE
SpectraBase Compound ID HhQicFIFkzP
InChI InChI=1S/C21H22BrF3O2/c1-14(2)5-4-6-15(3)11-12-20(16-7-9-17(22)10-8-16)13-18(19(26)27-20)21(23,24)25/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+
InChIKey DPKUVCJHIVIGNH-RVDMUPIBSA-N
Mol Weight 443.3 g/mol
Molecular Formula C21H22BrF3O2
Exact Mass 442.075527 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9fW4YpI7jXQ
Name 5-(4-BROMOPHENYL)-5-(3,7-DIMETHYLOCTA-2,6-DIENYL)-3-TRIFLUOROMETHYL-5H-THIOPHEN-2-ONE
Compound Number 29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22BrF3O2
InChI InChI=1S/C21H22BrF3O2/c1-14(2)5-4-6-15(3)11-12-20(16-7-9-17(22)10-8-16)13-18(19(26)27-20)21(23,24)25/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+
InChIKey DPKUVCJHIVIGNH-RVDMUPIBSA-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 443.304 g/mol
Solvent CDCl3
Source File Reference UWSI24226