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3-(2,6-dichlorophenyl)-N-(2,4-dimethylphenyl)-5-methyl-4-isoxazolecarboxamide
SpectraBase Compound ID DGL60dQMYcS
InChI InChI=1S/C19H16Cl2N2O2/c1-10-7-8-15(11(2)9-10)22-19(24)16-12(3)25-23-18(16)17-13(20)5-4-6-14(17)21/h4-9H,1-3H3,(H,22,24)
InChIKey AYBBLAGOHIFQOS-UHFFFAOYSA-N
Mol Weight 375.26 g/mol
Molecular Formula C19H16Cl2N2O2
Exact Mass 374.058883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jc4E1TzXYRl
Name 3-(2,6-Dichlorophenyl)-N-(2,4-dimethylphenyl)-5-methyl-4-isoxazolecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 374.058883161 u
Formula C19H16Cl2N2O2
InChI InChI=1S/C19H16Cl2N2O2/c1-10-7-8-15(11(2)9-10)22-19(24)16-12(3)25-23-18(16)17-13(20)5-4-6-14(17)21/h4-9H,1-3H3,(H,22,24)
InChIKey AYBBLAGOHIFQOS-UHFFFAOYSA-N
Molecular Weight 375.255 g/mol
SMILES N(C(C=1C(=NOC1C)C=1C(Cl)=CC=CC1Cl)=O)C1=C(C=C(C=C1)C)C