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3-(TRIFLUOROMETHYL)-BICYCLO-[1.1.1]-PENTANE-1-CARBOXYLIC-ACID;X=F,Y=C6H5
SpectraBase Compound ID D01S340Hb08
InChI InChI=1S/C7H7F3O2/c8-7(9,10)6-1-5(2-6,3-6)4(11)12/h1-3H2,(H,11,12)
InChIKey CGISBZCYXGUFNK-UHFFFAOYSA-N
Mol Weight 180.13 g/mol
Molecular Formula C7H7F3O2
Exact Mass 180.039814 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ik7Q4fJsW2
Name 3-(TRIFLUOROMETHYL)-BICYCLO-[1.1.1]-PENTANE-1-CARBOXYLIC-ACID;X=F,Y=C6H5
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H7F3O2
InChI InChI=1S/C7H7F3O2/c8-7(9,10)6-1-5(2-6,3-6)4(11)12/h1-3H2,(H,11,12)
InChIKey CGISBZCYXGUFNK-UHFFFAOYSA-N
Literature Reference Author W.ADCOCK,A.V.BLOKHIN,G.M.ELSEY,N.H.HEAD,A.R.KRSTIC,M.D.LEVIN ,J.MICHL,J.MUNTON,E.
Literature Reference Citation J.ORG.CHEM.,64,2618(1999)
Literature Reference DOI 10.1021/jo982124o
Solvent CDCl3
Source File Reference UWLU58514