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2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-naphthyl)acetamide
SpectraBase Compound ID KWRjEVzcVsk
InChI InChI=1S/C22H19N3O3S/c1-27-19-10-6-15(7-11-19)12-21-24-25-22(28-21)29-14-20(26)23-18-9-8-16-4-2-3-5-17(16)13-18/h2-11,13H,12,14H2,1H3,(H,23,26)
InChIKey ULVBBWYDFIVUAI-UHFFFAOYSA-N
Mol Weight 405.47 g/mol
Molecular Formula C22H19N3O3S
Exact Mass 405.114713 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G9pWLU4mvFz
Name 2-{[5-(4-Methoxybenzyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-naphthyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 405.114712655 u
Formula C22H19N3O3S
InChI InChI=1S/C22H19N3O3S/c1-27-19-10-6-15(7-11-19)12-21-24-25-22(28-21)29-14-20(26)23-18-9-8-16-4-2-3-5-17(16)13-18/h2-11,13H,12,14H2,1H3,(H,23,26)
InChIKey ULVBBWYDFIVUAI-UHFFFAOYSA-N
Molecular Weight 405.472 g/mol
SMILES N(C(CSC=1OC(=NN1)CC1=CC=C(C=C1)OC)=O)C=1C=C2C=CC=CC2=CC1