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4-pyridinecarboxamide, N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-
SpectraBase Compound ID Ad3mVRXegWU
InChI InChI=1S/C21H16N4O3/c1-27-18-4-2-3-16(13-18)21-24-19(25-28-21)14-5-7-17(8-6-14)23-20(26)15-9-11-22-12-10-15/h2-13H,1H3,(H,23,26)
InChIKey MDYSZSKSOZOJCX-UHFFFAOYSA-N
Mol Weight 372.38 g/mol
Molecular Formula C21H16N4O3
Exact Mass 372.12224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6g3igBoHxhD
Name 4-Pyridinecarboxamide, N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 372.122240388 u
Formula C21H16N4O3
InChI InChI=1S/C21H16N4O3/c1-27-18-4-2-3-16(13-18)21-24-19(25-28-21)14-5-7-17(8-6-14)23-20(26)15-9-11-22-12-10-15/h2-13H,1H3,(H,23,26)
InChIKey MDYSZSKSOZOJCX-UHFFFAOYSA-N
Molecular Weight 372.384 g/mol
SMILES N(C(=O)C1=CC=NC=C1)C=1C=CC(C=2N=C(ON2)C2=CC(OC)=CC=C2)=CC1