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3,5-Dichloro-N-[(3-chlorophenyl)(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SpectraBase Compound ID 5b8LFIDTXT7
InChI InChI=1S/C22H14Cl3N3O2/c23-16-8-4-7-14(9-16)19(26-21(29)15-10-17(24)12-18(25)11-15)22-27-20(28-30-22)13-5-2-1-3-6-13/h1-12,19H,(H,26,29)
InChIKey UPUAJMSAKYEUOY-UHFFFAOYSA-N
Mol Weight 458.73 g/mol
Molecular Formula C22H14Cl3N3O2
Exact Mass 457.01516 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DZdJdnzX6lm
Name 3,5-Dichloro-N-[(3-chlorophenyl)(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
Comments Computed using HOSE algorithm
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Exact Mass 457.015159801 u
Formula C22H14Cl3N3O2
InChI InChI=1S/C22H14Cl3N3O2/c23-16-8-4-7-14(9-16)19(26-21(29)15-10-17(24)12-18(25)11-15)22-27-20(28-30-22)13-5-2-1-3-6-13/h1-12,19H,(H,26,29)
InChIKey UPUAJMSAKYEUOY-UHFFFAOYSA-N
Molecular Weight 458.732 g/mol
SMILES C(C1=CC(=CC(=C1)Cl)Cl)(=O)NC(C=1ON=C(N1)C1=CC=CC=C1)C1=CC=CC(=C1)Cl