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METHYL-5-(TRIFLUOROMETHYL)-3-[4-(TRIFLUOROMETHYL)-PHENYL]-4-ISOXAZOLE-CARBOXYLATE
SpectraBase Compound ID JDMDliCaxYR
InChI InChI=1S/C13H7F6NO3/c1-22-11(21)8-9(20-23-10(8)13(17,18)19)6-2-4-7(5-3-6)12(14,15)16/h2-5H,1H3
InChIKey CNHZYGLURHOPGC-UHFFFAOYSA-N
Mol Weight 339.19 g/mol
Molecular Formula C13H7F6NO3
Exact Mass 339.033012 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4TCHLeELblz
Name METHYL-5-(TRIFLUOROMETHYL)-3-[4-(TRIFLUOROMETHYL)-PHENYL]-4-ISOXAZOLE-CARBOXYLATE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H7F6NO3
InChI InChI=1S/C13H7F6NO3/c1-22-11(21)8-9(20-23-10(8)13(17,18)19)6-2-4-7(5-3-6)12(14,15)16/h2-5H,1H3
InChIKey CNHZYGLURHOPGC-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 339.194 g/mol
Solvent CDCl3
Source File Reference UWMS22603