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3-CYANO-3-METHYL-5-TRIFLUOROMETHYL-5-(PARA-TOLYL)-1-PYRAZOLINE
SpectraBase Compound ID CTLET31cSwG
InChI InChI=1S/C12H10F3N3/c1-8-2-4-9(5-3-8)11(12(13,14)15)6-10(7-16)17-18-11/h2-5,18H,6H2,1H3
InChIKey NXIYVSXSVQXJKJ-UHFFFAOYSA-N
Mol Weight 253.23 g/mol
Molecular Formula C12H10F3N3
Exact Mass 253.082682 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4oGEG1XZiEi
Name 3-CYANO-3-METHYL-5-TRIFLUOROMETHYL-5-(PARA-TOLYL)-1-PYRAZOLINE
Comments C=10%. MAY BE R-32 (PERKIN-ELMER). SCALE INVERTED;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H10F3N3
InChI InChI=1S/C12H10F3N3/c1-8-2-4-9(5-3-8)11(12(13,14)15)6-10(7-16)17-18-11/h2-5,18H,6H2,1H3
InChIKey NXIYVSXSVQXJKJ-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