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METHYL-4-(3-OXO-2-TRIFLUOROMETHYL-BUTYL)-BENZOATE
SpectraBase Compound ID DMwbyemDs06
InChI InChI=1S/C13H13F3O3/c1-8(17)11(13(14,15)16)7-9-3-5-10(6-4-9)12(18)19-2/h3-6,11H,7H2,1-2H3
InChIKey LIWPOXSIZWQIKM-UHFFFAOYSA-N
Mol Weight 274.24 g/mol
Molecular Formula C13H13F3O3
Exact Mass 274.081679 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID NnK6RpoVpb
Name METHYL-4-(3-OXO-2-TRIFLUOROMETHYL-BUTYL)-BENZOATE
Compound Number 7G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13F3O3
InChI InChI=1S/C13H13F3O3/c1-8(17)11(13(14,15)16)7-9-3-5-10(6-4-9)12(18)19-2/h3-6,11H,7H2,1-2H3
InChIKey LIWPOXSIZWQIKM-UHFFFAOYSA-N
Literature Reference Author K.SATO,M.OMOTE,A.ANDO,I.KUMADAKI
Literature Reference Citation ORG.LETTERS,6,4359(2004)
Literature Reference DOI 10.1021/ol048134v
Solvent CDCl3
Source File Reference UWLU52447