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4-[3-(o-chlorophenyl)-N-cyclohexyl-5-methyl-4-isoxazolecarboxamido]-3-nitrobenzoic acid, ethyl ester
SpectraBase Compound ID FrAGcbbbDST
InChI InChI=1S/C26H26ClN3O6/c1-3-35-26(32)17-13-14-21(22(15-17)30(33)34)29(18-9-5-4-6-10-18)25(31)23-16(2)36-28-24(23)19-11-7-8-12-20(19)27/h7-8,11-15,18H,3-6,9-10H2,1-2H3
InChIKey UTCZQIFLSGORCK-UHFFFAOYSA-N
Mol Weight 511.96 g/mol
Molecular Formula C26H26ClN3O6
Exact Mass 511.151013 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E0hM4WBXjBz
Name 4-[3-(o-chlorophenyl)-N-cyclohexyl-5-methyl-4-isoxazolecarboxamido]-3-nitrobenzoic acid, ethyl ester
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Formula C26H26ClN3O6
InChI InChI=1S/C26H26ClN3O6/c1-3-35-26(32)17-13-14-21(22(15-17)30(33)34)29(18-9-5-4-6-10-18)25(31)23-16(2)36-28-24(23)19-11-7-8-12-20(19)27/h7-8,11-15,18H,3-6,9-10H2,1-2H3
InChIKey UTCZQIFLSGORCK-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 24898M
Solvent CDCl3