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N-{4-[acetyl(methyl)amino]phenyl}-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide
SpectraBase Compound ID KG3TuKMMe2r
InChI InChI=1S/C20H18ClN3O3/c1-12-18(19(23-27-12)16-6-4-5-7-17(16)21)20(26)22-14-8-10-15(11-9-14)24(3)13(2)25/h4-11H,1-3H3,(H,22,26)
InChIKey QWAPGDMONWDGNI-UHFFFAOYSA-N
Mol Weight 383.84 g/mol
Molecular Formula C20H18ClN3O3
Exact Mass 383.103669 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GTx0sAzMZub
Name N-{4-[Acetyl(methyl)amino]phenyl}-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 383.103669149 u
Formula C20H18ClN3O3
InChI InChI=1S/C20H18ClN3O3/c1-12-18(19(23-27-12)16-6-4-5-7-17(16)21)20(26)22-14-8-10-15(11-9-14)24(3)13(2)25/h4-11H,1-3H3,(H,22,26)
InChIKey QWAPGDMONWDGNI-UHFFFAOYSA-N
Molecular Weight 383.835 g/mol
SMILES N(C(C=1C(=NOC1C)C1=C(Cl)C=CC=C1)=O)C=1C=CC(N(C(=O)C)C)=CC1