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4-pyridinecarboxamide, N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-
SpectraBase Compound ID FeESyjsFSmL
InChI InChI=1S/C24H22N4O3/c1-2-3-17-4-10-21(11-5-17)30-16-22-27-23(28-31-22)18-6-8-20(9-7-18)26-24(29)19-12-14-25-15-13-19/h4-15H,2-3,16H2,1H3,(H,26,29)
InChIKey KBVMZKVZBXNRNO-UHFFFAOYSA-N
Mol Weight 414.47 g/mol
Molecular Formula C24H22N4O3
Exact Mass 414.169191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BbupU58nPlt
Name 4-Pyridinecarboxamide, N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 414.169190581 u
Formula C24H22N4O3
InChI InChI=1S/C24H22N4O3/c1-2-3-17-4-10-21(11-5-17)30-16-22-27-23(28-31-22)18-6-8-20(9-7-18)26-24(29)19-12-14-25-15-13-19/h4-15H,2-3,16H2,1H3,(H,26,29)
InChIKey KBVMZKVZBXNRNO-UHFFFAOYSA-N
Molecular Weight 414.465 g/mol
SMILES N(C(=O)C1=CC=NC=C1)C1=CC=C(C=2N=C(ON2)COC2=CC=C(C=C2)CCC)C=C1