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N-(4-bromo-2-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide

View entire compound with spectra: 2 NMR

N-(4-bromo-2-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide
SpectraBase Compound ID H9bbb2839GG
InChI InChI=1S/C18H13BrCl2N2O2/c1-9-8-11(19)6-7-14(9)22-18(24)15-10(2)25-23-17(15)16-12(20)4-3-5-13(16)21/h3-8H,1-2H3,(H,22,24)
InChIKey KPQUVOPJXJVWSZ-UHFFFAOYSA-N
Mol Weight 440.12 g/mol
Molecular Formula C18H13BrCl2N2O2
Exact Mass 437.953746 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 95wZ776b1h3
Name N-(4-Bromo-2-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 437.953746065 u
Formula C18H13BrCl2N2O2
InChI InChI=1S/C18H13BrCl2N2O2/c1-9-8-11(19)6-7-14(9)22-18(24)15-10(2)25-23-17(15)16-12(20)4-3-5-13(16)21/h3-8H,1-2H3,(H,22,24)
InChIKey KPQUVOPJXJVWSZ-UHFFFAOYSA-N
Molecular Weight 440.124 g/mol
SMILES N(C(C=1C(=NOC1C)C=1C(Cl)=CC=CC1Cl)=O)C=1C(=CC(=CC1)Br)C