John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Hcesq5YHqc0 SpectraBase Spectrum ID=1jSyKedzuFX

(accessed ).
acetic acid (1-butyl-5,5,5-trifluoro-2-phenyl-penta-2,3-dienyl) ester
SpectraBase Compound ID Hcesq5YHqc0
InChI InChI=1S/C17H19F3O2/c1-3-4-10-16(22-13(2)21)15(11-12-17(18,19)20)14-8-6-5-7-9-14/h5-9,12,16H,3-4,10H2,1-2H3
InChIKey ZMLUQNSWUDCBIO-UHFFFAOYSA-N
Mol Weight 312.33 g/mol
Molecular Formula C17H19F3O2
Exact Mass 312.133715 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1jSyKedzuFX
Name acetic acid (1-butyl-5,5,5-trifluoro-2-phenyl-penta-2,3-dienyl) ester
Compound Number 9F-ACETATE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H19F3O2
InChI InChI=1S/C17H19F3O2/c1-3-4-10-16(22-13(2)21)15(11-12-17(18,19)20)14-8-6-5-7-9-14/h5-9,12,16H,3-4,10H2,1-2H3
InChIKey ZMLUQNSWUDCBIO-UHFFFAOYSA-N
Literature Reference Author T.SAKAMOTO,K.TAKAHASHI,T.YAMAZAKI,T.KITAZUME
Literature Reference Citation J.ORG.CHEM.,64,9467(1999)
Literature Reference DOI 10.1021/jo991086l
Solvent CDCl3
Source File Reference UWLU60080
SpectraBase Batch ID rjY0RSzsLa