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3-[2,5-DI(TRIFLUOROMETHYL)-3,4-DIAZA-3H-PERFLUOROHEX-4-EN-2-YL]INDOLE
SpectraBase Compound ID 67hSvZ54P4S
InChI InChI=1S/C14H7F12N3/c15-11(16,17)9(12(18,19)20)28-29-10(13(21,22)23,14(24,25)26)7-5-27-8-4-2-1-3-6(7)8/h1-5,27,29H
InChIKey YDQSLXFOXGGKGB-UHFFFAOYSA-N
Mol Weight 445.21 g/mol
Molecular Formula C14H7F12N3
Exact Mass 445.044835 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ci1X3HRHFOj
Name 3-[2,5-DI(TRIFLUOROMETHYL)-3,4-DIAZA-3H-PERFLUOROHEX-4-EN-2-YL]INDOLE
Comments SCALE INVERTED;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H7F12N3
InChI InChI=1S/C14H7F12N3/c15-11(16,17)9(12(18,19)20)28-29-10(13(21,22)23,14(24,25)26)7-5-27-8-4-2-1-3-6(7)8/h1-5,27,29H
InChIKey YDQSLXFOXGGKGB-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference N.D.CHKANIKOV, V.L.VERSHININ, S.V.SEREDA, M.YU.ANTIPIN, YU.T.STRUCHKOV,A.F.KOLOMIETS, A.V.FOKIN (1988) Izv.Akad.Nauk SSSR(Russ. Lang.): N7, 1646-1650.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3H6O acetone