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bis[4-(2,5-Dimethyl-1-pyrrolyl)phenyl] oxide
SpectraBase Compound ID 59wpaBK0555
InChI InChI=1S/C24H24N2O/c1-17-5-6-18(2)25(17)21-9-13-23(14-10-21)27-24-15-11-22(12-16-24)26-19(3)7-8-20(26)4/h5-16H,1-4H3
InChIKey PNMHVDGRJONPAU-UHFFFAOYSA-N
Mol Weight 356.47 g/mol
Molecular Formula C24H24N2O
Exact Mass 356.188863 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 94CF7aHM3hA
Name bis[4-(2,5-Dimethyl-1-pyrrolyl)phenyl] oxide
Comments Computed using HOSE algorithm
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Exact Mass 356.188863400 u
Formula C24H24N2O
InChI InChI=1S/C24H24N2O/c1-17-5-6-18(2)25(17)21-9-13-23(14-10-21)27-24-15-11-22(12-16-24)26-19(3)7-8-20(26)4/h5-16H,1-4H3
InChIKey PNMHVDGRJONPAU-UHFFFAOYSA-N
Molecular Weight 356.469 g/mol
SMILES C1=CC(=CC=C1N1C(=CC=C1C)C)OC1=CC=C(N2C(C)=CC=C2C)C=C1