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2-TRIFLUOROMETHYLFUMARIC ACID, 1-METHYL-4-ETHYL DIESTER
SpectraBase Compound ID 6lO3CtY0o8r
InChI InChI=1S/C8H9F3O4/c1-3-15-6(12)4-5(7(13)14-2)8(9,10)11/h4H,3H2,1-2H3/b5-4-
InChIKey SPGCMHRZACAZOY-PLNGDYQASA-N
Mol Weight 226.15 g/mol
Molecular Formula C8H9F3O4
Exact Mass 226.045293 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7q05yTmvblT
Name 2-TRIFLUOROMETHYLFUMARIC ACID, 1-METHYL-4-ETHYL DIESTER
Comments SCALE INVERTED;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H9F3O4
InChI InChI=1S/C8H9F3O4/c1-3-15-6(12)4-5(7(13)14-2)8(9,10)11/h4H,3H2,1-2H3/b5-4-
InChIKey SPGCMHRZACAZOY-PLNGDYQASA-N
Instrument Name SEE COMMENT
Literature Reference V.A.SOLOSHONOK, YU.L.YAGUPOL'SKY, V.P.KUKHAR' (1989) Zhurn.Org.Khim.(Russ.Lang.): v.25, N12, 2523-2527.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6