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Methyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate
SpectraBase Compound ID CHk1OUsMV9n
InChI InChI=1S/C12H10F3NO3/c1-19-10(17)11(18,12(13,14)15)8-6-16-9-5-3-2-4-7(8)9/h2-6,16,18H,1H3
InChIKey BJTUXJYJRFFZEC-UHFFFAOYSA-N
Mol Weight 273.21 g/mol
Molecular Formula C12H10F3NO3
Exact Mass 273.061278 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3VOgy50VqvC
Name 3-(1-METHOXYCARBONYL-2,2,2-TRIFLUOROETHYL)INDOLE
Comments SCALE INVERTED;WP-200 (BRUKER)
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Formula C12H10F3NO3
InChI InChI=1S/C12H10F3NO3/c1-19-10(17)11(18,12(13,14)15)8-6-16-9-5-3-2-4-7(8)9/h2-6,16,18H,1H3
InChIKey BJTUXJYJRFFZEC-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