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N-(3-bromophenyl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide

View entire compound with spectra: 2 NMR

N-(3-bromophenyl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide
SpectraBase Compound ID 3GpOpY3WyiB
InChI InChI=1S/C17H12BrClN2O2/c1-10-15(17(22)20-12-6-4-5-11(18)9-12)16(21-23-10)13-7-2-3-8-14(13)19/h2-9H,1H3,(H,20,22)
InChIKey QAKVVOWIJMHMFM-UHFFFAOYSA-N
Mol Weight 391.65 g/mol
Molecular Formula C17H12BrClN2O2
Exact Mass 389.977068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iz7Wf0aKYdV
Name N-(3-Bromophenyl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 389.977068332 u
Formula C17H12BrClN2O2
InChI InChI=1S/C17H12BrClN2O2/c1-10-15(17(22)20-12-6-4-5-11(18)9-12)16(21-23-10)13-7-2-3-8-14(13)19/h2-9H,1H3,(H,20,22)
InChIKey QAKVVOWIJMHMFM-UHFFFAOYSA-N
Molecular Weight 391.652 g/mol
SMILES N(C(C=1C(=NOC1C)C=1C(Cl)=CC=CC1)=O)C1=CC(Br)=CC=C1