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3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylic acid, 2-methoxy-4-(3-oxobutyl)phenyl ester
SpectraBase Compound ID 1HFyNraC1pB
InChI InChI=1S/C22H19Cl2NO5/c1-12(26)7-8-14-9-10-17(18(11-14)28-3)29-22(27)19-13(2)30-25-21(19)20-15(23)5-4-6-16(20)24/h4-6,9-11H,7-8H2,1-3H3
InChIKey MBOZZFMSSLYWKO-UHFFFAOYSA-N
Mol Weight 448.3 g/mol
Molecular Formula C22H19Cl2NO5
Exact Mass 447.064028 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ChdhK1x9K7k
Name 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylic acid, 2-methoxy-4-(3-oxobutyl)phenyl ester
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Formula C22H19Cl2NO5
InChI InChI=1S/C22H19Cl2NO5/c1-12(26)7-8-14-9-10-17(18(11-14)28-3)29-22(27)19-13(2)30-25-21(19)20-15(23)5-4-6-16(20)24/h4-6,9-11H,7-8H2,1-3H3
InChIKey MBOZZFMSSLYWKO-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 46249M
Solvent CDCl3