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(E)-METHYL-3-[4-(2',2',2'-TRIFLUOROETHOXY)-PHENYL]-PROP-2-ENOATE
SpectraBase Compound ID 5cVJxxSIIwD
InChI InChI=1S/C12H11F3O3/c1-17-11(16)7-4-9-2-5-10(6-3-9)18-8-12(13,14)15/h2-7H,8H2,1H3/b7-4+
InChIKey VFMRMOGRTKDDEO-QPJJXVBHSA-N
Mol Weight 260.21 g/mol
Molecular Formula C12H11F3O3
Exact Mass 260.066029 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3D4NnV6MBy1
Name (E)-METHYL-3-[4-(2',2',2'-TRIFLUOROETHOXY)-PHENYL]-PROP-2-ENOATE
Compound Number 5D
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Formula C12H11F3O3
InChI InChI=1S/C12H11F3O3/c1-17-11(16)7-4-9-2-5-10(6-3-9)18-8-12(13,14)15/h2-7H,8H2,1H3/b7-4+
InChIKey VFMRMOGRTKDDEO-QPJJXVBHSA-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 260.213 g/mol
Solvent CDCl3
Source File Reference UWMZ48132