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3-(1-ETHOXYCARBONYL-1-TRIFLUOROMETHYL-2,2-DICYANOETHYL)-2-METHYLINDOLE
SpectraBase Compound ID 5HcAvg6iPF5
InChI InChI=1S/C17H14F3N3O2/c1-3-25-15(24)16(17(18,19)20,11(8-21)9-22)14-10(2)23-13-7-5-4-6-12(13)14/h4-7,11,23H,3H2,1-2H3
InChIKey PCWTYPJDNOFCJF-UHFFFAOYSA-N
Mol Weight 349.31 g/mol
Molecular Formula C17H14F3N3O2
Exact Mass 349.103811 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID fWyX5nKiQ0
Name 3-(1-ETHOXYCARBONYL-1-TRIFLUOROMETHYL-2,2-DICYANOETHYL)-2-METHYLINDOLE
Comments SCALE INVERTED;R-32 (PERKIN-ELMER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H14F3N3O2
InChI InChI=1S/C17H14F3N3O2/c1-3-25-15(24)16(17(18,19)20,11(8-21)9-22)14-10(2)23-13-7-5-4-6-12(13)14/h4-7,11,23H,3H2,1-2H3
InChIKey PCWTYPJDNOFCJF-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference N.D.CHKANIKOV, K.V.KOMAROV, V.YU.TYUTIN, A.F.KOLOMIETS, A.V.FOKIN (1991)Izv.Akad.Nauk SSSR(Russ. Lang.): N5, 1193-1195.
NMR Standard -CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D6SO dimethylsulfo