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METHYL-4-(4,4,4-TRIFLUOROBUTANOYL)-BENZOATE
SpectraBase Compound ID 9FqO1y4Cy3B
InChI InChI=1S/C12H11F3O3/c1-18-11(17)9-4-2-8(3-5-9)10(16)6-7-12(13,14)15/h2-5H,6-7H2,1H3
InChIKey XVURFJMSEZUKMS-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 HxvJpHAMj1k
Name METHYL-4-(4,4,4-TRIFLUOROBUTANOYL)-BENZOATE
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11F3O3
InChI InChI=1S/C12H11F3O3/c1-18-11(17)9-4-2-8(3-5-9)10(16)6-7-12(13,14)15/h2-5H,6-7H2,1H3
InChIKey XVURFJMSEZUKMS-UHFFFAOYSA-N
Literature Reference Author A.IKEDA,M.OMOTE,S.NOMURA,M.TANAKA,A.TARUI,K.SATO,A.ANDO
Literature Reference Citation BEIL.J.ORG.CHEM.,9,2417(2013)
Literature Reference DOI 10.3762/bjoc.9.279
Solvent CDCl3
Source File Reference UWLU77824