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2-CYANO-2,4-BIS(TRIFLUOROMETHYL)-3,5,5,5-TETRAFLUOROPENT-3-ENOIC ACID,METHYL ESTER
SpectraBase Compound ID D09RnHqi0Lc
InChI InChI=1S/C9H3F10NO2/c1-22-5(21)6(2-20,9(17,18)19)4(10)3(7(11,12)13)8(14,15)16/h1H3
InChIKey GBZHHSNTCVAMCY-UHFFFAOYSA-N
Mol Weight 347.11 g/mol
Molecular Formula C9H3F10NO2
Exact Mass 347.00041 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4UTR9eiZ3yS
Name 2-CYANO-2,4-BIS(TRIFLUOROMETHYL)-3,5,5,5-TETRAFLUOROPENT-3-ENOIC ACID,METHYL ESTER
Comments C=50%. SCALE INVERTED;WP-200 (BRUKER)
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Formula C9H3F10NO2
InChI InChI=1S/C9H3F10NO2/c1-22-5(21)6(2-20,9(17,18)19)4(10)3(7(11,12)13)8(14,15)16/h1H3
InChIKey GBZHHSNTCVAMCY-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference A.YU.SIZOV, A.F.KOLOMIETS, A.V.FOKIN (1987) Izv.Akad.Nauk SSSR(Russ. Lang.):N10, 2262-2266.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4 carbon tetrachl