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3-Methyl-1-(p-tolyl)-5,5-bis[trifluoromethyl)-=-4-cyano-2-pyrroline-4-carboxamide
SpectraBase Compound ID E9jvTnuFGu9
InChI InChI=1S/C16H13F6N3O/c1-9-3-5-11(6-4-9)25-10(2)7-13(8-23,12(24)26)14(25,15(17,18)19)16(20,21)22/h3-7H,1-2H3,(H2,24,26)
InChIKey RLZNAXMZTRDADM-UHFFFAOYSA-N
Mol Weight 377.29 g/mol
Molecular Formula C16H13F6N3O
Exact Mass 377.096281 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1gCyqmgCYsy
Name 2-METHYL-1-(PARA-TOLYL)-5,5-BIS(TRIFLUOROMETHYL)-4-CYANO-2-PYRROLINE-4-CARBOXAMIDE
Comments STANDARD IS DEDUCED TO BE CF3COOH. SCALE INVERTED (S.T.);R-32 (PERKIN-ELMER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H13F6N3O
InChI InChI=1S/C16H13F6N3O/c1-9-3-5-11(6-4-9)25-10(2)7-13(8-23,12(24)26)14(25,15(17,18)19)16(20,21)22/h3-7H,1-2H3,(H2,24,26)
InChIKey RLZNAXMZTRDADM-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference K.V.KOMAROV, N.D.CHKANIKOV, M.V.GALAKHOV, A.F.KOLOMIETS, A.V.FOKIN (1988)Izv.Akad.Nauk SSSR(Russ. Lang.): N6, 1451-1452.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6