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2-phenylbutyric acid (2,2,2-trifluoroacetyl) ester
SpectraBase Compound ID A44wlpDYBEb
InChI InChI=1S/C12H11F3O3/c1-2-9(8-6-4-3-5-7-8)10(16)18-11(17)12(13,14)15/h3-7,9H,2H2,1H3
InChIKey QTVCYODDOIXLET-UHFFFAOYSA-N
Mol Weight 260.21 g/mol
Molecular Formula C12H11F3O3
Exact Mass 260.066029 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4cTHBRp3GcI
Name 2-phenylbutyric acid (2,2,2-trifluoroacetyl) ester
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11F3O3
InChI InChI=1S/C12H11F3O3/c1-2-9(8-6-4-3-5-7-8)10(16)18-11(17)12(13,14)15/h3-7,9H,2H2,1H3
InChIKey QTVCYODDOIXLET-UHFFFAOYSA-N
Literature Reference Author T.P.SMYTH,B.W.CORBY
Literature Reference Citation J.ORG.CHEM.,63,8946(1998)
Literature Reference DOI 10.1021/jo981264v
Solvent NEAT_SOLUTION
Source File Reference UWMZ26268