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3-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-4,5-dihydro-5-isoxazolecarboxamide
SpectraBase Compound ID 5e72Uph5Cg7
InChI InChI=1S/C17H17N3O3/c1-11-7-8-18-16(9-11)19-17(21)15-10-14(20-23-15)12-3-5-13(22-2)6-4-12/h3-9,15H,10H2,1-2H3,(H,18,19,21)
InChIKey BEKCUKUJHYUABH-UHFFFAOYSA-N
Mol Weight 311.34 g/mol
Molecular Formula C17H17N3O3
Exact Mass 311.126991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9aOvGSSkfe2
Name 3-(4-Methoxyphenyl)-N-(4-methyl-2-pyridinyl)-4,5-dihydro-5-isoxazolecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 311.126991416 u
Formula C17H17N3O3
InChI InChI=1S/C17H17N3O3/c1-11-7-8-18-16(9-11)19-17(21)15-10-14(20-23-15)12-3-5-13(22-2)6-4-12/h3-9,15H,10H2,1-2H3,(H,18,19,21)
InChIKey BEKCUKUJHYUABH-UHFFFAOYSA-N
SMILES N(C(C1ON=C(C1)C=1C=CC(=CC1)OC)=O)C=1N=CC=C(C1)C