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1-PHENYL-3-PENTAFLUOROETHYL-4-TRIFLUOROMETHYL-5-PHENYLAZAPYRAZOLE
SpectraBase Compound ID 4y1CQ6ngNK2
InChI InChI=1S/C18H10F8N4/c19-16(20,18(24,25)26)14-13(17(21,22)23)15(28-27-11-7-3-1-4-8-11)30(29-14)12-9-5-2-6-10-12/h1-10H/b28-27+
InChIKey MXVBXIDCWCFFJA-BYYHNAKLSA-N
Mol Weight 434.29 g/mol
Molecular Formula C18H10F8N4
Exact Mass 434.077772 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DHpXRMCeQhL
Name 1-PHENYL-3-PENTAFLUOROETHYL-4-TRIFLUOROMETHYL-5-PHENYLAZAPYRAZOLE
Comments SCALE INVERTED;R-32 (PERKIN-ELMER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H10F8N4
InChI InChI=1S/C18H10F8N4/c19-16(20,18(24,25)26)14-13(17(21,22)23)15(28-27-11-7-3-1-4-8-11)30(29-14)12-9-5-2-6-10-12/h1-10H/b28-27+
InChIKey MXVBXIDCWCFFJA-BYYHNAKLSA-N
Instrument Name SEE COMMENT
Literature Reference M.D.BAGRAMOVA, S.M.MOTSISHKITE, I.L.KNUNYANTS (1990) Izv.Akad.Nauk SSSR(Russ.Lang.): N11, 2583-2589.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3H6O acetone