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6-AMINO-5-CYANO-4-ETHOXYCARBONYL-4-TRIFLUOROMETHYL-4,5-DIHYDROPYRAZOLO-[3,4-B]PYRIDINE
SpectraBase Compound ID 5R8N0CmTqQU
InChI InChI=1S/C11H10F3N5O2/c1-2-21-9(20)10(11(12,13)14)5(3-15)7(16)18-8-6(10)4-17-19-8/h4-5H,2H2,1H3,(H3,16,17,18,19)
InChIKey ASDSSJSJEZERNI-UHFFFAOYSA-N
Mol Weight 301.23 g/mol
Molecular Formula C11H10F3N5O2
Exact Mass 301.078659 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1mbZgaj0dUl
Name 6-AMINO-5-CYANO-4-ETHOXYCARBONYL-4-TRIFLUOROMETHYL-4,5-DIHYDROPYRAZOLO-[3,4-B]PYRIDINE
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 C11H10F3N5O2
InChI InChI=1S/C11H10F3N5O2/c1-2-21-9(20)10(11(12,13)14)5(3-15)7(16)18-8-6(10)4-17-19-8/h4-5H,2H2,1H3,(H3,16,17,18,19)
InChIKey ASDSSJSJEZERNI-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