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5-AMINO-4-CYANO-3-METHOXYCARBONYL-3-TRIFLUOROMETHYL-1-(4-NITROPHENYL)-4-PYRAZOLINE
SpectraBase Compound ID B25AALCB6k5
InChI InChI=1S/C13H10F3N5O4/c1-25-11(22)12(13(14,15)16)9(6-17)10(18)20(19-12)7-2-4-8(5-3-7)21(23)24/h2-5,19H,18H2,1H3
InChIKey UBGJIYLTRIMIJG-UHFFFAOYSA-N
Mol Weight 357.25 g/mol
Molecular Formula C13H10F3N5O4
Exact Mass 357.068488 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3KZ2ZeYnvJy
Name 5-AMINO-4-CYANO-3-METHOXYCARBONYL-3-TRIFLUOROMETHYL-1-(4-NITROPHENYL)-4-PYRAZOLINE
Comments '+SIGMA-DOWNFIELD' IN THE PUBLICATION;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H10F3N5O4
InChI InChI=1S/C13H10F3N5O4/c1-25-11(22)12(13(14,15)16)9(6-17)10(18)20(19-12)7-2-4-8(5-3-7)21(23)24/h2-5,19H,18H2,1H3
InChIKey UBGJIYLTRIMIJG-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