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TRIFLUOROACETIC-ACID-2-BROMO-1-(4-CYANOPHENYL)-1-METHYLETHYLESTER
SpectraBase Compound ID 8YIM38L0p2K
InChI InChI=1S/C12H9BrF3NO2/c1-11(7-13,19-10(18)12(14,15)16)9-4-2-8(6-17)3-5-9/h2-5H,7H2,1H3
InChIKey NXOAFZFAFYJVLB-UHFFFAOYSA-N
Mol Weight 336.11 g/mol
Molecular Formula C12H9BrF3NO2
Exact Mass 334.976876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ib2TFQPgtb6
Name TRIFLUOROACETIC-ACID-2-BROMO-1-(4-CYANOPHENYL)-1-METHYLETHYLESTER
Compound Number 95D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9BrF3NO2
InChI InChI=1S/C12H9BrF3NO2/c1-11(7-13,19-10(18)12(14,15)16)9-4-2-8(6-17)3-5-9/h2-5H,7H2,1H3
InChIKey NXOAFZFAFYJVLB-UHFFFAOYSA-N
Literature Reference Author A.L.J.BECKWITH,P.J.DUGGAN
Literature Reference Citation J.AM.CHEM.SOC.,118,12838(1996)
Literature Reference DOI 10.1021/ja963153o
Molecular Weight 336.108 g/mol
Sample ID 54521
Solvent CDCl3