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N-(4-sec-butylphenyl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide

View entire compound with spectra: 2 NMR

N-(4-sec-butylphenyl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide
SpectraBase Compound ID 6HK0AGkZONW
InChI InChI=1S/C21H21ClN2O2/c1-4-13(2)15-9-11-16(12-10-15)23-21(25)19-14(3)26-24-20(19)17-7-5-6-8-18(17)22/h5-13H,4H2,1-3H3,(H,23,25)
InChIKey POPXORMCWWXAHA-UHFFFAOYSA-N
Mol Weight 368.86 g/mol
Molecular Formula C21H21ClN2O2
Exact Mass 368.129156 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KyJivpZFMWZ
Name N-(4-sec-Butylphenyl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 368.129155622 u
Formula C21H21ClN2O2
InChI InChI=1S/C21H21ClN2O2/c1-4-13(2)15-9-11-16(12-10-15)23-21(25)19-14(3)26-24-20(19)17-7-5-6-8-18(17)22/h5-13H,4H2,1-3H3,(H,23,25)
InChIKey POPXORMCWWXAHA-UHFFFAOYSA-N
Molecular Weight 368.864 g/mol
SMILES N(C(C=1C(=NOC1C)C=1C(Cl)=CC=CC1)=O)C1=CC=C(C=C1)C(CC)C