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4-pyridinecarboxamide, N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-
SpectraBase Compound ID GABO0Ct9B0A
InChI InChI=1S/C22H18N4O3/c1-15-4-2-3-5-19(15)28-14-20-25-21(26-29-20)16-6-8-18(9-7-16)24-22(27)17-10-12-23-13-11-17/h2-13H,14H2,1H3,(H,24,27)
InChIKey FMAVNFQLHPZKAH-UHFFFAOYSA-N
Mol Weight 386.41 g/mol
Molecular Formula C22H18N4O3
Exact Mass 386.13789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ybHTQlEAsh
Name 4-Pyridinecarboxamide, N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 386.137890453 u
Formula C22H18N4O3
InChI InChI=1S/C22H18N4O3/c1-15-4-2-3-5-19(15)28-14-20-25-21(26-29-20)16-6-8-18(9-7-16)24-22(27)17-10-12-23-13-11-17/h2-13H,14H2,1H3,(H,24,27)
InChIKey FMAVNFQLHPZKAH-UHFFFAOYSA-N
Molecular Weight 386.411 g/mol
SMILES N(C(=O)C1=CC=NC=C1)C1=CC=C(C=2N=C(ON2)COC2=C(C)C=CC=C2)C=C1