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3-(TRIFLUOROMETHYL)-3-[4-(TRIFLUOROMETHYL)-PHENYL]-ISOXAZOLE
SpectraBase Compound ID HcRqMZDZocO
InChI InChI=1S/C11H5F6NO/c12-10(13,14)7-3-1-6(2-4-7)8-5-9(19-18-8)11(15,16)17/h1-5H
InChIKey YQXDERQQMXXTLG-UHFFFAOYSA-N
Mol Weight 281.16 g/mol
Molecular Formula C11H5F6NO
Exact Mass 281.027533 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3kx2ZHkVgOh
Name 3-(TRIFLUOROMETHYL)-3-[4-(TRIFLUOROMETHYL)-PHENYL]-ISOXAZOLE
Compound Number 3E
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H5F6NO
InChI InChI=1S/C11H5F6NO/c12-10(13,14)7-3-1-6(2-4-7)8-5-9(19-18-8)11(15,16)17/h1-5H
InChIKey YQXDERQQMXXTLG-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 281.157 g/mol
Solvent CDCl3
Source File Reference UWMS22616