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N-(4-bromophenyl)-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide
SpectraBase Compound ID 6fgBkYc3UXm
InChI InChI=1S/C17H11BrCl2N2O2/c1-9-14(17(23)21-11-7-5-10(18)6-8-11)16(22-24-9)15-12(19)3-2-4-13(15)20/h2-8H,1H3,(H,21,23)
InChIKey YVBCLQQPCAJWPP-UHFFFAOYSA-N
Mol Weight 426.1 g/mol
Molecular Formula C17H11BrCl2N2O2
Exact Mass 423.938096 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 33BpTj9xReI
Name N-(4-Bromophenyl)-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 423.938096000 u
Formula C17H11BrCl2N2O2
InChI InChI=1S/C17H11BrCl2N2O2/c1-9-14(17(23)21-11-7-5-10(18)6-8-11)16(22-24-9)15-12(19)3-2-4-13(15)20/h2-8H,1H3,(H,21,23)
InChIKey YVBCLQQPCAJWPP-UHFFFAOYSA-N
Molecular Weight 426.097 g/mol
SMILES N(C(C=1C(=NOC1C)C=1C(Cl)=CC=CC1Cl)=O)C=1C=CC(=CC1)Br