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3(5)-TRIFLUOROMETHYL-5(3)-ISOBUTYLPYRAZOLE
SpectraBase Compound ID TRROPERTmS
InChI InChI=1S/C8H11F3N2/c1-5(2)3-6-4-7(13-12-6)8(9,10)11/h4-5H,3H2,1-2H3,(H,12,13)
InChIKey HLBQLBKHFUQCDT-UHFFFAOYSA-N
Mol Weight 192.19 g/mol
Molecular Formula C8H11F3N2
Exact Mass 192.087433 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IP7bmiXstRE
Name 3(5)-TRIFLUOROMETHYL-5(3)-ISOBUTYLPYRAZOLE
Comments SCALE INVERTED;RA-2306 (RUSSIAN)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H11F3N2
InChI InChI=1S/C8H11F3N2/c1-5(2)3-6-4-7(13-12-6)8(9,10)11/h4-5H,3H2,1-2H3,(H,12,13)
InChIKey HLBQLBKHFUQCDT-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference E.S. TURBANOVA, N.A.ORLOVA, A.A.PETROV (1978) Zhurn.Org.Khim.(Russ. Lang.):v.14, N6, 1170-1177.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported