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(Z)-4-(1-METHOXYCARBONYL-2,2,2-TRIFLUOROETHYLIDENE)-1-PHENYL-3-METHYLPYRAZOL-5-ONE
SpectraBase Compound ID BUdAcgVwP7c
InChI InChI=1S/C14H11F3N2O3/c1-8-10(11(13(21)22-2)14(15,16)17)12(20)19(18-8)9-6-4-3-5-7-9/h3-7H,1-2H3/b11-10-
InChIKey UOFNXKCTHAQBME-KHPPLWFESA-N
Mol Weight 312.25 g/mol
Molecular Formula C14H11F3N2O3
Exact Mass 312.072177 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Et2uV6u2xCw
Name (Z)-4-(1-METHOXYCARBONYL-2,2,2-TRIFLUOROETHYLIDENE)-1-PHENYL-3-METHYLPYRAZOL-5-ONE
Comments E:Z=26.6:1. SCALE INVERTED. MAY BE WP-200SY (BRUKER).
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Formula C14H11F3N2O3
InChI InChI=1S/C14H11F3N2O3/c1-8-10(11(13(21)22-2)14(15,16)17)12(20)19(18-8)9-6-4-3-5-7-9/h3-7H,1-2H3/b11-10-
InChIKey UOFNXKCTHAQBME-KHPPLWFESA-N
Instrument Name Bruker AC-200
Literature Reference A.S.GOLUBEV, V.YU.TYUTIN, N.D.CHKANIKOV, A.F.KOLOMIETS, A.V.FOKIN (1992)Izv.Akad.Nauk SSSR(Russ. Lang.): N11, 2617-2623.
NMR Standard -CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6