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2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl 5-phenyl-1,3,4-oxadiazol-2-yl sulfide
SpectraBase Compound ID 21SU0GhFQQ1
InChI InChI=1S/C20H17N3O2S/c1-13-14(2)23(17-11-7-6-10-16(13)17)18(24)12-26-20-22-21-19(25-20)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3
InChIKey GQDOAJUAWQIXGO-UHFFFAOYSA-N
Mol Weight 363.44 g/mol
Molecular Formula C20H17N3O2S
Exact Mass 363.104148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7qN1SofsPZJ
Name 2-(2,3-Dimethyl-1H-indol-1-yl)-2-oxoethyl 5-phenyl-1,3,4-oxadiazol-2-yl sulfide
Comments Computed using HOSE algorithm
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Exact Mass 363.104147971 u
Formula C20H17N3O2S
InChI InChI=1S/C20H17N3O2S/c1-13-14(2)23(17-11-7-6-10-16(13)17)18(24)12-26-20-22-21-19(25-20)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3
InChIKey GQDOAJUAWQIXGO-UHFFFAOYSA-N
Molecular Weight 363.435 g/mol
SMILES C=1C=CC(C=2OC(SCC(N3C(=C(C)C4=C3C=CC=C4)C)=O)=NN2)=CC1