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1-(2,4-DINITROPHENYL)-3,5-DIMETHYL-4-DIFLUOROCHLOROMETHYLTHIOPYRAZOLE
SpectraBase Compound ID FlorE0lENbu
InChI InChI=1S/C12H9ClF2N4O4S/c1-6-11(24-12(13,14)15)7(2)17(16-6)9-4-3-8(18(20)21)5-10(9)19(22)23/h3-5H,1-2H3
InChIKey QAHGLPOYSAWAMP-UHFFFAOYSA-N
Mol Weight 378.74 g/mol
Molecular Formula C12H9ClF2N4O4S
Exact Mass 378.00011 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FFedqq1w0ee
Name 1-(2,4-DINITROPHENYL)-3,5-DIMETHYL-4-DIFLUOROCHLOROMETHYLTHIOPYRAZOLE
Comments SCALE INVERTED;HX-60 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H9ClF2N4O4S
InChI InChI=1S/C12H9ClF2N4O4S/c1-6-11(24-12(13,14)15)7(2)17(16-6)9-4-3-8(18(20)21)5-10(9)19(22)23/h3-5H,1-2H3
InChIKey QAHGLPOYSAWAMP-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference M.BAUER, A.HAAS, H.MUTH (1980) J.Fluor.Chem.: v.16, N2, 129-136.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported