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N-(2,4-dibromophenyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide

View entire compound with spectra: 2 NMR

N-(2,4-dibromophenyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide
SpectraBase Compound ID 20Y0YuJncOM
InChI InChI=1S/C17H12Br2N2O2/c1-10-15(16(21-23-10)11-5-3-2-4-6-11)17(22)20-14-8-7-12(18)9-13(14)19/h2-9H,1H3,(H,20,22)
InChIKey ZCPFUWMHBSCGCH-UHFFFAOYSA-N
Mol Weight 436.1 g/mol
Molecular Formula C17H12Br2N2O2
Exact Mass 433.926554 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L5S4TfFPFsk
Name N-(2,4-Dibromophenyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 433.926553632 u
Formula C17H12Br2N2O2
InChI InChI=1S/C17H12Br2N2O2/c1-10-15(16(21-23-10)11-5-3-2-4-6-11)17(22)20-14-8-7-12(18)9-13(14)19/h2-9H,1H3,(H,20,22)
InChIKey ZCPFUWMHBSCGCH-UHFFFAOYSA-N
Molecular Weight 436.103 g/mol
SMILES N(C(C=1C(=NOC1C)C=1C=CC=CC1)=O)C=1C(=CC(=CC1)Br)Br