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3-(2,6-dichlorophenyl)-5-methyl-N-(2-naphthyl)-4-isoxazolecarboxamide

View entire compound with spectra: 2 NMR

3-(2,6-dichlorophenyl)-5-methyl-N-(2-naphthyl)-4-isoxazolecarboxamide
SpectraBase Compound ID JFUwuI9jfmL
InChI InChI=1S/C21H14Cl2N2O2/c1-12-18(20(25-27-12)19-16(22)7-4-8-17(19)23)21(26)24-15-10-9-13-5-2-3-6-14(13)11-15/h2-11H,1H3,(H,24,26)
InChIKey CGSAIMPAPOEXPP-UHFFFAOYSA-N
Mol Weight 397.26 g/mol
Molecular Formula C21H14Cl2N2O2
Exact Mass 396.043233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FHP89yPGoQI
Name 3-(2,6-Dichlorophenyl)-5-methyl-N-(2-naphthyl)-4-isoxazolecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 396.043233097 u
Formula C21H14Cl2N2O2
InChI InChI=1S/C21H14Cl2N2O2/c1-12-18(20(25-27-12)19-16(22)7-4-8-17(19)23)21(26)24-15-10-9-13-5-2-3-6-14(13)11-15/h2-11H,1H3,(H,24,26)
InChIKey CGSAIMPAPOEXPP-UHFFFAOYSA-N
Molecular Weight 397.261 g/mol
SMILES N(C(C=1C(=NOC1C)C=1C(Cl)=CC=CC1Cl)=O)C=1C=C2C=CC=CC2=CC1