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4-Iodo-1-(4-trifluoromethylphenyl)butanone
SpectraBase Compound ID 6lsAldQm5Ar
InChI InChI=1S/C11H10F3IO/c12-11(13,14)9-5-3-8(4-6-9)10(16)2-1-7-15/h3-6H,1-2,7H2
InChIKey YMYQWTKGDJTNMV-UHFFFAOYSA-N
Mol Weight 342.1 g/mol
Molecular Formula C11H10F3IO
Exact Mass 341.972844 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KwCwNoZG0GR
Name 4-IODO-1-(4-TRIFLUOROMETHYLPHENYL)-BUTANONE
Compound Number 26E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H10F3IO
InChI InChI=1S/C11H10F3IO/c12-11(13,14)9-5-3-8(4-6-9)10(16)2-1-7-15/h3-6H,1-2,7H2
InChIKey YMYQWTKGDJTNMV-UHFFFAOYSA-N
Literature Reference Author R.GIOVANNINI,T.STUEDEMANN,A.DEVASAGAYARAJ,G.DUSSIN,P.KNOCHEL
Literature Reference Citation J.ORG.CHEM.,64,3544(1999)
Literature Reference DOI 10.1021/jo982317b
Molecular Weight 342.100 g/mol
Sample ID 59224
Solvent CDCl3