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4-pyridinecarboxamide, N-[4-[5-[(4-chloro-3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-
SpectraBase Compound ID 7vVSdTgTnOF
InChI InChI=1S/C22H17ClN4O3/c1-14-12-18(6-7-19(14)23)29-13-20-26-21(27-30-20)15-2-4-17(5-3-15)25-22(28)16-8-10-24-11-9-16/h2-12H,13H2,1H3,(H,25,28)
InChIKey ZTAORYVZBFXBBS-UHFFFAOYSA-N
Mol Weight 420.86 g/mol
Molecular Formula C22H17ClN4O3
Exact Mass 420.098918 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lnzypd8zr35
Name 4-Pyridinecarboxamide, N-[4-[5-[(4-chloro-3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.098918120 u
Formula C22H17ClN4O3
InChI InChI=1S/C22H17ClN4O3/c1-14-12-18(6-7-19(14)23)29-13-20-26-21(27-30-20)15-2-4-17(5-3-15)25-22(28)16-8-10-24-11-9-16/h2-12H,13H2,1H3,(H,25,28)
InChIKey ZTAORYVZBFXBBS-UHFFFAOYSA-N
Molecular Weight 420.856 g/mol
SMILES N(C(=O)C1=CC=NC=C1)C=1C=CC(C=2N=C(ON2)COC2=CC(C)=C(C=C2)Cl)=CC1