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BIS[2-(1-PHENYL-3-PENTAFLUOROETHYL-4-TRIFLUOROMETHYLPYRAZOL-5-YLAMINO)ETHYL]DISULPHIDE
SpectraBase Compound ID CHTtrdgIrWk
InChI InChI=1S/C28H20F16N6S2/c29-23(30,27(39,40)41)19-17(25(33,34)35)21(49(47-19)15-7-3-1-4-8-15)45-11-13-51-52-14-12-46-22-18(26(36,37)38)20(24(31,32)28(42,43)44)48-50(22)16-9-5-2-6-10-16/h1-10,45-46H,11-14H2
InChIKey CGOKAOURPFGYND-UHFFFAOYSA-N
Mol Weight 808.6 g/mol
Molecular Formula C28H20F16N6S2
Exact Mass 808.093538 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BeVOUZ9AAps
Name BIS[2-(1-PHENYL-3-PENTAFLUOROETHYL-4-TRIFLUOROMETHYLPYRAZOL-5-YLAMINO)ETHYL]DISULPHIDE
Comments SCALE INVERTED;R-32 (PERKIN-ELMER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H20F16N6S2
InChI InChI=1S/C28H20F16N6S2/c29-23(30,27(39,40)41)19-17(25(33,34)35)21(49(47-19)15-7-3-1-4-8-15)45-11-13-51-52-14-12-46-22-18(26(36,37)38)20(24(31,32)28(42,43)44)48-50(22)16-9-5-2-6-10-16/h1-10,45-46H,11-14H2
InChIKey CGOKAOURPFGYND-UHFFFAOYSA-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 CCl4 carbon tetrachl