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

View entire compound with spectra: 2 NMR

N-(2,4-dimethylphenyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide
SpectraBase Compound ID 2Md3Q8ypoNH
InChI InChI=1S/C19H18N2O2/c1-12-9-10-16(13(2)11-12)20-19(22)17-14(3)23-21-18(17)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,20,22)
InChIKey BDQWFUDIIZQZBJ-UHFFFAOYSA-N
Mol Weight 306.36 g/mol
Molecular Formula C19H18N2O2
Exact Mass 306.136828 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4mv6FmE1foi
Name N-(2,4-Dimethylphenyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 306.136827826 u
Formula C19H18N2O2
InChI InChI=1S/C19H18N2O2/c1-12-9-10-16(13(2)11-12)20-19(22)17-14(3)23-21-18(17)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,20,22)
InChIKey BDQWFUDIIZQZBJ-UHFFFAOYSA-N
Molecular Weight 306.365 g/mol
SMILES N(C(C=1C(=NOC1C)C=1C=CC=CC1)=O)C=1C(=CC(=CC1)C)C