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5-AMINO-4-CYANO-3-ETHOXYCARBONYL-3-TRIFLUOROMETHYL-1-(4-NITROPHENYL)-4-PYRAZOLINE
SpectraBase Compound ID AcibnWh0Au5
InChI InChI=1S/C14H12F3N5O4/c1-2-26-12(23)13(14(15,16)17)10(7-18)11(19)21(20-13)8-3-5-9(6-4-8)22(24)25/h3-6,20H,2,19H2,1H3
InChIKey DIOAYMHAPVSYOS-UHFFFAOYSA-N
Mol Weight 371.28 g/mol
Molecular Formula C14H12F3N5O4
Exact Mass 371.084138 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HnL9VBXIcMS
Name 5-AMINO-4-CYANO-3-ETHOXYCARBONYL-3-TRIFLUOROMETHYL-1-(4-NITROPHENYL)-4-PYRAZOLINE
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 C14H12F3N5O4
InChI InChI=1S/C14H12F3N5O4/c1-2-26-12(23)13(14(15,16)17)10(7-18)11(19)21(20-13)8-3-5-9(6-4-8)22(24)25/h3-6,20H,2,19H2,1H3
InChIKey DIOAYMHAPVSYOS-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 C2D6SO dimethylsulfo