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bis[1-[2-(2-Pyridyl)ethyl]-2-methylbenzimidazol-5-yl] sulfone

View entire compound with spectra: 1 NMR

bis[1-[2-(2-Pyridyl)ethyl]-2-methylbenzimidazol-5-yl] sulfone
SpectraBase Compound ID Lalt3g0KKu8
InChI InChI=1S/C30H28N6O2S/c1-21-33-27-19-25(9-11-29(27)35(21)17-13-23-7-3-5-15-31-23)39(37,38)26-10-12-30-28(20-26)34-22(2)36(30)18-14-24-8-4-6-16-32-24/h3-12,15-16,19-20H,13-14,17-18H2,1-2H3
InChIKey UXKNTSSONKDNJZ-UHFFFAOYSA-N
Mol Weight 536.65 g/mol
Molecular Formula C30H28N6O2S
Exact Mass 536.199445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BWoOSODujuz
Name bis[1-[2-(2-Pyridyl)ethyl]-2-methylbenzimidazol-5-yl] sulfone
Comments Computed using HOSE algorithm
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Exact Mass 536.199445338 u
Formula C30H28N6O2S
InChI InChI=1S/C30H28N6O2S/c1-21-33-27-19-25(9-11-29(27)35(21)17-13-23-7-3-5-15-31-23)39(37,38)26-10-12-30-28(20-26)34-22(2)36(30)18-14-24-8-4-6-16-32-24/h3-12,15-16,19-20H,13-14,17-18H2,1-2H3
InChIKey UXKNTSSONKDNJZ-UHFFFAOYSA-N
Molecular Weight 536.654 g/mol
SMILES C=1(S(=O)(=O)C2=CC=3N=C(C)N(C3C=C2)CCC2=CC=CC=N2)C=CC2=C(N=C(N2CCC2=CC=CC=N2)C)C1