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6-AMINO-3-DICYANOMETHYL-3-(TRIFLUOROMETHYL)INDOLIN-2-ONE
SpectraBase Compound ID 4KDgMzYq8oI
InChI InChI=1S/C12H7F3N4O/c13-12(14,15)11(6(4-16)5-17)8-2-1-7(18)3-9(8)19-10(11)20/h1-3,6H,18H2,(H,19,20)
InChIKey UEARRZCORYRUNQ-UHFFFAOYSA-N
Mol Weight 280.21 g/mol
Molecular Formula C12H7F3N4O
Exact Mass 280.057195 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K2JtfmdTPRi
Name 6-AMINO-3-DICYANOMETHYL-3-(TRIFLUOROMETHYL)INDOLIN-2-ONE
Comments THERE IS REMARK '+SIGMA-DOWNFIELD' IN THE PUBLICATION;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H7F3N4O
InChI InChI=1S/C12H7F3N4O/c13-12(14,15)11(6(4-16)5-17)8-2-1-7(18)3-9(8)19-10(11)20/h1-3,6H,18H2,(H,19,20)
InChIKey UEARRZCORYRUNQ-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference V.Y.TYUTIN, N.D.CHKANIKOV, A.F.KOLOMIETS, A.V.FOKIN (1991) J.Fluor.Chem.: v.51,N3, 323-334.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6