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N-(2-bromo-4-methylphenyl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide

View entire compound with spectra: 2 NMR

N-(2-bromo-4-methylphenyl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide
SpectraBase Compound ID 5AOPyoXeMmb
InChI InChI=1S/C18H14BrClN2O2/c1-10-7-8-15(13(19)9-10)21-18(23)16-11(2)24-22-17(16)12-5-3-4-6-14(12)20/h3-9H,1-2H3,(H,21,23)
InChIKey WSHQDHIAIFFQNG-UHFFFAOYSA-N
Mol Weight 405.68 g/mol
Molecular Formula C18H14BrClN2O2
Exact Mass 403.992718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2v089J0Ik7z
Name N-(2-Bromo-4-methylphenyl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 403.992718397 u
Formula C18H14BrClN2O2
InChI InChI=1S/C18H14BrClN2O2/c1-10-7-8-15(13(19)9-10)21-18(23)16-11(2)24-22-17(16)12-5-3-4-6-14(12)20/h3-9H,1-2H3,(H,21,23)
InChIKey WSHQDHIAIFFQNG-UHFFFAOYSA-N
Molecular Weight 405.679 g/mol
SMILES N(C(C=1C(=NOC1C)C=1C(Cl)=CC=CC1)=O)C=1C(=CC(=CC1)C)Br