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5-Ethoxy-4-methyl-1-(nonafluoro-tert-butyl)-3-trifluoromethyl-pyrazole
SpectraBase Compound ID 79qxLIvObmC
InChI InChI=1S/C11H8F12N2O/c1-3-26-6-4(2)5(7(12,13)14)24-25(6)8(9(15,16)17,10(18,19)20)11(21,22)23/h3H2,1-2H3
InChIKey XWSACDKOZMQHNV-UHFFFAOYSA-N
Mol Weight 412.18 g/mol
Molecular Formula C11H8F12N2O
Exact Mass 412.044501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gb45ckbbfSq
Name 5-Ethoxy-4-methyl-1-(nonafluoro-tert-butyl)-3-trifluoromethyl-pyrazole
CAS Registry Number 73087-70-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H8F12N2O
InChI InChI=1S/C11H8F12N2O/c1-3-26-6-4(2)5(7(12,13)14)24-25(6)8(9(15,16)17,10(18,19)20)11(21,22)23/h3H2,1-2H3
InChIKey XWSACDKOZMQHNV-UHFFFAOYSA-N
Literature Reference F. Hein, K. Burger, J. Firl, J. Chem. Soc. Chem. Comm. 792 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported