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3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid, 3-(pyrrol-1-yl)-2-thenyl ester
SpectraBase Compound ID 5CsW7vZaK0D
InChI InChI=1S/C20H14ClFN2O3S/c1-12-17(19(23-27-12)18-13(21)5-4-6-14(18)22)20(25)26-11-16-15(7-10-28-16)24-8-2-3-9-24/h2-10H,11H2,1H3
InChIKey VAZLUVRKUPYKEC-UHFFFAOYSA-N
Mol Weight 416.85 g/mol
Molecular Formula C20H14ClFN2O3S
Exact Mass 416.039769 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LgMugq2Z9IN
Name 3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid, 3-(pyrrol-1-yl)-2-thenyl ester
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Formula C20H14ClFN2O3S
InChI InChI=1S/C20H14ClFN2O3S/c1-12-17(19(23-27-12)18-13(21)5-4-6-14(18)22)20(25)26-11-16-15(7-10-28-16)24-8-2-3-9-24/h2-10H,11H2,1H3
InChIKey VAZLUVRKUPYKEC-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 46584M
Solvent CDCl3