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3-(2-chloro-6-fluorophenyl)-N-(2-iodophenyl)-5-methyl-4-isoxazolecarboxamide

View entire compound with spectra: 2 NMR

3-(2-chloro-6-fluorophenyl)-N-(2-iodophenyl)-5-methyl-4-isoxazolecarboxamide
SpectraBase Compound ID GgZpWqcAlEK
InChI InChI=1S/C17H11ClFIN2O2/c1-9-14(17(23)21-13-8-3-2-7-12(13)20)16(22-24-9)15-10(18)5-4-6-11(15)19/h2-8H,1H3,(H,21,23)
InChIKey RBRVZGXRJWLOOE-UHFFFAOYSA-N
Mol Weight 456.64 g/mol
Molecular Formula C17H11ClFIN2O2
Exact Mass 455.953778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5OvWJh5qaF5
Name 3-(2-Chloro-6-fluorophenyl)-N-(2-iodophenyl)-5-methyl-4-isoxazolecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 455.953778463 u
Formula C17H11ClFIN2O2
InChI InChI=1S/C17H11ClFIN2O2/c1-9-14(17(23)21-13-8-3-2-7-12(13)20)16(22-24-9)15-10(18)5-4-6-11(15)19/h2-8H,1H3,(H,21,23)
InChIKey RBRVZGXRJWLOOE-UHFFFAOYSA-N
Molecular Weight 456.643 g/mol
SMILES N(C(C=1C(=NOC1C)C1=C(Cl)C=CC=C1F)=O)C1=C(I)C=CC=C1