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1-PHENYL-3-METHYL-4-(1-TRIFLUOROMETHYLVINYLTHIO)PYRAZOL-5-ONE
SpectraBase Compound ID HCK2pYPvkoY
InChI InChI=1S/C13H11F3N2OS/c1-8-11(20-9(2)13(14,15)16)12(19)18(17-8)10-6-4-3-5-7-10/h3-7,17H,2H2,1H3
InChIKey BTRFRLDBCKQFSM-UHFFFAOYSA-N
Mol Weight 300.3 g/mol
Molecular Formula C13H11F3N2OS
Exact Mass 300.054419 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L6eHr7Bin3c
Name 1-PHENYL-3-METHYL-4-(1-TRIFLUOROMETHYLVINYLTHIO)PYRAZOL-5-ONE
Comments C=10%. SCALE INVERTED;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H11F3N2OS
InChI InChI=1S/C13H11F3N2OS/c1-8-11(20-9(2)13(14,15)16)12(19)18(17-8)10-6-4-3-5-7-10/h3-7,17H,2H2,1H3
InChIKey BTRFRLDBCKQFSM-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference A.YU.SIZOV, A.F.KOLOMIETS, A.V.FOKIN (1991) Izv.Akad.Nauk SSSR(Russ. Lang.): N3,676-681.
NMR Standard -CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D3N acetonitrile-d