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(E)-3-[4-(2',2',2'-TRIFLUOROETHOXY)-PHENYL]-PROP-2-ENOIC_ACID
SpectraBase Compound ID Jpg6GEHU4t7
InChI InChI=1S/C11H9F3O3/c12-11(13,14)7-17-9-4-1-8(2-5-9)3-6-10(15)16/h1-6H,7H2,(H,15,16)/b6-3+
InChIKey XVPLDBHSEDUMPC-ZZXKWVIFSA-N
Mol Weight 246.19 g/mol
Molecular Formula C11H9F3O3
Exact Mass 246.050379 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2GRIWjz86Qc
Name (E)-3-[4-(2',2',2'-TRIFLUOROETHOXY)-PHENYL]-PROP-2-ENOIC_ACID
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H9F3O3
InChI InChI=1S/C11H9F3O3/c12-11(13,14)7-17-9-4-1-8(2-5-9)3-6-10(15)16/h1-6H,7H2,(H,15,16)/b6-3+
InChIKey XVPLDBHSEDUMPC-ZZXKWVIFSA-N
Literature Reference Author P.DE,G.K.YOYA,P.CONSTANT,F.BEDOS-BELVAL,H.DURAN,N.SAFFON,M.D AFFE,M.BALTAS
Literature Reference Citation J.MED.CHEM.,54,1449(2011)
Literature Reference DOI 10.1021/jm101510d
Molecular Weight 246.186 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ48137