John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Htx5ieByhYE SpectraBase Spectrum ID=2Bbd6iCR7Kb

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METHYL-4-(TRIFLUOROMETHYL)-3-[4-(TRIFLUOROMETHYL)-PHENYL]-5-ISOXAZOLE-CARBOXYLATE
SpectraBase Compound ID Htx5ieByhYE
InChI InChI=1S/C13H7F6NO3/c1-22-11(21)10-8(13(17,18)19)9(20-23-10)6-2-4-7(5-3-6)12(14,15)16/h2-5H,1H3
InChIKey HZLUCIREYMCCOQ-UHFFFAOYSA-N
Mol Weight 339.19 g/mol
Molecular Formula C13H7F6NO3
Exact Mass 339.033013 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Bbd6iCR7Kb
Name METHYL-4-(TRIFLUOROMETHYL)-3-[4-(TRIFLUOROMETHYL)-PHENYL]-5-ISOXAZOLE-CARBOXYLATE
Compound Number 4A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H7F6NO3
InChI InChI=1S/C13H7F6NO3/c1-22-11(21)10-8(13(17,18)19)9(20-23-10)6-2-4-7(5-3-6)12(14,15)16/h2-5H,1H3
InChIKey HZLUCIREYMCCOQ-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
Solvent CDCl3
Source File Reference UWMS22604
SpectraBase Batch ID Es6fX7thMkM