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2-PHENYL-3-(1-METHOXYCARBONYL-2,2,2-TRIFLUOROETHYL)INDOLE
SpectraBase Compound ID K2Rleds5eq4
InChI InChI=1S/C18H14F3NO3/c1-25-16(23)17(24,18(19,20)21)14-12-9-5-6-10-13(12)22-15(14)11-7-3-2-4-8-11/h2-10,22,24H,1H3
InChIKey GFVYYVGBRAGBKW-UHFFFAOYSA-N
Mol Weight 349.31 g/mol
Molecular Formula C18H14F3NO3
Exact Mass 349.092578 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KZXxhhl6UZE
Name 2-PHENYL-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 C18H14F3NO3
InChI InChI=1S/C18H14F3NO3/c1-25-16(23)17(24,18(19,20)21)14-12-9-5-6-10-13(12)22-15(14)11-7-3-2-4-8-11/h2-10,22,24H,1H3
InChIKey GFVYYVGBRAGBKW-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