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2-METHYL-3-(1-METHOXYCARBONYL-2,2,2-TRIFLUOROETHYL)INDOLE
SpectraBase Compound ID LUzac3TRGIt
InChI InChI=1S/C13H12F3NO3/c1-7-10(8-5-3-4-6-9(8)17-7)12(19,11(18)20-2)13(14,15)16/h3-6,17,19H,1-2H3
InChIKey QIOGKHBTRZZGKB-UHFFFAOYSA-N
Mol Weight 287.24 g/mol
Molecular Formula C13H12F3NO3
Exact Mass 287.076928 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JeBAqlLylGs
Name 2-METHYL-3-(1-METHOXYCARBONYL-2,2,2-TRIFLUOROETHYL)INDOLE
Comments SCALE INVERTED;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H12F3NO3
InChI InChI=1S/C13H12F3NO3/c1-7-10(8-5-3-4-6-9(8)17-7)12(19,11(18)20-2)13(14,15)16/h3-6,17,19H,1-2H3
InChIKey QIOGKHBTRZZGKB-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference A.E.ZELENIN, N.D.CHKANIKOV, YU.N.IVANCHENKO, V.D.TKACHEV, V.A.RUSAKOVA,A.F.KOLOMIETS, A.V.FOKIN (1987) Khim.Heteroc.Soed.(Russ. Lang.): N9, 1200-1201.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3H6O acetone