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3-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)-3H-pyrazole
SpectraBase Compound ID Kw21CwDOGlV
InChI InChI=1S/C17H13F3N2/c1-12-7-9-14(10-8-12)16(17(18,19)20)11-15(21-22-16)13-5-3-2-4-6-13/h2-11H,1H3
InChIKey PVKYGAWDTITMOW-UHFFFAOYSA-N
Mol Weight 302.3 g/mol
Molecular Formula C17H13F3N2
Exact Mass 302.103083 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BSM35ZKdrqo
Name 3-PHENYL-5-TRIFLUOROMETHYL-5-(PARA-TOLYL)PYRAZOLE
Comments C=10%. MAY BE R-32 (PERKIN-ELMER). SCALE INVERTED;WP-200SY (BRUKER)
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Formula C17H13F3N2
InChI InChI=1S/C17H13F3N2/c1-12-7-9-14(10-8-12)16(17(18,19)20)11-15(21-22-16)13-5-3-2-4-6-13/h2-11H,1H3
InChIKey PVKYGAWDTITMOW-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference V.V.LINEV, A.F.KOLOMIETS, A.V.FOKIN (1991) Izv.Akad.Nauk SSSR(Russ. Lang.): N7,1589-1593.
NMR Standard -CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6