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4,5-BIS-(TRIFLUOROMETHYL)-3-(4-TRIFLUOROMETHYL)-PHENYL-ISOXAZOLE
SpectraBase Compound ID B8z2VMrRPhY
InChI InChI=1S/C12H4F9NO/c13-10(14,15)6-3-1-5(2-4-6)8-7(11(16,17)18)9(23-22-8)12(19,20)21/h1-4H
InChIKey DXHMXDLTEBCGGQ-UHFFFAOYSA-N
Mol Weight 349.16 g/mol
Molecular Formula C12H4F9NO
Exact Mass 349.014917 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ddnkGQsSFf
Name 4,5-BIS-(TRIFLUOROMETHYL)-3-(4-TRIFLUOROMETHYL)-PHENYL-ISOXAZOLE
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H4F9NO
InChI InChI=1S/C12H4F9NO/c13-10(14,15)6-3-1-5(2-4-6)8-7(11(16,17)18)9(23-22-8)12(19,20)21/h1-4H
InChIKey DXHMXDLTEBCGGQ-UHFFFAOYSA-N
Literature Reference Author B.C.HAMPER,K.L.LESCHINSKY
Literature Reference Citation J.HETCYCL.CHEM.,40,575(2003)
Literature Reference DOI 10.1002/jhet.5570400404
Molecular Weight 349.155 g/mol
Solvent CDCl3
Source File Reference UWMS22617