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1-PHENYL-3-PENTAFLUOROETHYL-4-TRIFLUOROMETHYL-5-(2-HYDROXYETHYLTHIO)PYRAZOLE
SpectraBase Compound ID 3Xdjn1l4H65
InChI InChI=1S/C14H10F8N2OS/c15-12(16,14(20,21)22)10-9(13(17,18)19)11(26-7-6-25)24(23-10)8-4-2-1-3-5-8/h1-5,25H,6-7H2
InChIKey YBHQCGGKLAHSFR-UHFFFAOYSA-N
Mol Weight 406.29 g/mol
Molecular Formula C14H10F8N2OS
Exact Mass 406.038609 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7bmnWo1BOcc
Name 1-PHENYL-3-PENTAFLUOROETHYL-4-TRIFLUOROMETHYL-5-(2-HYDROXYETHYLTHIO)PYRAZOLE
Comments SCALE INVERTED;R-32 (PERKIN-ELMER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H10F8N2OS
InChI InChI=1S/C14H10F8N2OS/c15-12(16,14(20,21)22)10-9(13(17,18)19)11(26-7-6-25)24(23-10)8-4-2-1-3-5-8/h1-5,25H,6-7H2
InChIKey YBHQCGGKLAHSFR-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