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2-(8-amino-5-quinolinyl)-3,3,3-trifluoro-2-hydroxypropanoic acid methyl ester
SpectraBase Compound ID 48DwUU4Ultd
InChI InChI=1S/C13H11F3N2O3/c1-21-11(19)12(20,13(14,15)16)8-4-5-9(17)10-7(8)3-2-6-18-10/h2-6,20H,17H2,1H3
InChIKey KJWQDDIXCXBRAH-UHFFFAOYSA-N
Mol Weight 300.24 g/mol
Molecular Formula C13H11F3N2O3
Exact Mass 300.072177 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KDP0GQE1yvh
Name 8-AMINO-5-(ALPHA-HYDROXY-ALPHA-CARBOMETHOXYTRIFLUOROETHYL)QUINOLINE
Comments SCALE INVERTED;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H11F3N2O3
InChI InChI=1S/C13H11F3N2O3/c1-21-11(19)12(20,13(14,15)16)8-4-5-9(17)10-7(8)3-2-6-18-10/h2-6,20H,17H2,1H3
InChIKey KJWQDDIXCXBRAH-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference A.E.ZELENIN, N.D.CHKANIKOV, A.F.KOLOMIETS, A.V.FOKIN (1986) Izv.Akad.NaukSSSR(Russ. Lang.): N9, 2080-2085.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3H6O acetone