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p-Tert-butyl-o-{[5-(p-chlorophenyl)-3-methyl-4-isoxazolyl]carbonyl}benzamidoxime
SpectraBase Compound ID 6EFUmXQjVub
InChI InChI=1S/C22H22ClN3O3/c1-13-18(19(28-25-13)14-7-11-17(23)12-8-14)21(27)29-26-20(24)15-5-9-16(10-6-15)22(2,3)4/h5-12H,1-4H3,(H2,24,26)
InChIKey BAWIKNJTMONHPS-UHFFFAOYSA-N
Mol Weight 411.89 g/mol
Molecular Formula C22H22ClN3O3
Exact Mass 411.134969 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EdAzjv16enT
Name p-Tert-butyl-o-{[5-(p-chlorophenyl)-3-methyl-4-isoxazolyl]carbonyl}benzamidoxime
Comments Computed using HOSE algorithm
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Exact Mass 411.134969277 u
Formula C22H22ClN3O3
InChI InChI=1S/C22H22ClN3O3/c1-13-18(19(28-25-13)14-7-11-17(23)12-8-14)21(27)29-26-20(24)15-5-9-16(10-6-15)22(2,3)4/h5-12H,1-4H3,(H2,24,26)
InChIKey BAWIKNJTMONHPS-UHFFFAOYSA-N
Molecular Weight 411.889 g/mol
SMILES N\C(C1=CC=C(C=C1)C(C)(C)C)=N/OC(C1=C(ON=C1C)C=1C=CC(=CC1)Cl)=O