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3-(2,6-DICHLOROPHENYL)-5-METHYL-4-{[4-(2-NITRO-alpha,alpha,alpha-TRIFLUORO-p-TOLYL)-1-PIPERAZINYL]CARBONYL}ISOXAZOLE
SpectraBase Compound ID LA2IZBu53Hz
InChI InChI=1S/C22H17Cl2F3N4O4/c1-12-18(20(28-35-12)19-14(23)3-2-4-15(19)24)21(32)30-9-7-29(8-10-30)16-6-5-13(22(25,26)27)11-17(16)31(33)34/h2-6,11H,7-10H2,1H3
InChIKey LVMXSTRRKOIEBF-UHFFFAOYSA-N
Mol Weight 529.3 g/mol
Molecular Formula C22H17Cl2F3N4O4
Exact Mass 528.057895 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LbL9aGTMO4B
Name 3-(2,6-dichlorophenyl)-5-methyl-4-{[4-(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)-1-piperazinyl]carbonyl}isoxazole
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Formula C22H17Cl2F3N4O4
InChI InChI=1S/C22H17Cl2F3N4O4/c1-12-18(20(28-35-12)19-14(23)3-2-4-15(19)24)21(32)30-9-7-29(8-10-30)16-6-5-13(22(25,26)27)11-17(16)31(33)34/h2-6,11H,7-10H2,1H3
InChIKey LVMXSTRRKOIEBF-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 39210M
Solvent CDCl3