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ETHYL-4,4,4-TRIFLUORO-3-(4-METHOXYPHENYLAMINO)-2-METHYLBUTANOATE;MAJOR-ISOMER
SpectraBase Compound ID I1abE0sim0e
InChI InChI=1S/C14H18F3NO3/c1-4-21-13(19)9(2)12(14(15,16)17)18-10-5-7-11(20-3)8-6-10/h5-9,12,18H,4H2,1-3H3
InChIKey ZKLLBCUNTTXXBD-UHFFFAOYSA-N
Mol Weight 305.3 g/mol
Molecular Formula C14H18F3NO3
Exact Mass 305.123878 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AkjOpq4Qzov
Name ETHYL-4,4,4-TRIFLUORO-3-(4-METHOXYPHENYLAMINO)-2-METHYLBUTANOATE;MINOR-ISOMER
Compound Number 4F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H18F3NO3
InChI InChI=1S/C14H18F3NO3/c1-4-21-13(19)9(2)12(14(15,16)17)18-10-5-7-11(20-3)8-6-10/h5-9,12,18H,4H2,1-3H3
InChIKey ZKLLBCUNTTXXBD-UHFFFAOYSA-N
Literature Reference Author J.TAKAYA,H.KAGOSHIMA,T.AKIYAMA
Literature Reference Citation ORG.LETTERS,2,1577(2000)
Literature Reference DOI 10.1021/ol005812e
Solvent CDCl3
Source File Reference UWSI25947