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1-[4-[4-(2,5-Dimethylpyrrol-1-yl)benzyl]phenyl]-2,5-dimethyl-pyrrole
SpectraBase Compound ID 78A665gh6IX
InChI InChI=1S/C25H26N2/c1-18-5-6-19(2)26(18)24-13-9-22(10-14-24)17-23-11-15-25(16-12-23)27-20(3)7-8-21(27)4/h5-16H,17H2,1-4H3
InChIKey DFYOQBRBZVTNJW-UHFFFAOYSA-N
Mol Weight 354.5 g/mol
Molecular Formula C25H26N2
Exact Mass 354.209599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GH5J2KoCBWq
Name 1-[4-[4-(2,5-Dimethylpyrrol-1-yl)benzyl]phenyl]-2,5-dimethyl-pyrrole
Comments Computed using HOSE algorithm
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Exact Mass 354.209598845 u
Formula C25H26N2
InChI InChI=1S/C25H26N2/c1-18-5-6-19(2)26(18)24-13-9-22(10-14-24)17-23-11-15-25(16-12-23)27-20(3)7-8-21(27)4/h5-16H,17H2,1-4H3
InChIKey DFYOQBRBZVTNJW-UHFFFAOYSA-N
Molecular Weight 354.497 g/mol
SMILES CC=1N(C2=CC=C(CC=3C=CC(N4C(=CC=C4C)C)=CC3)C=C2)C(=CC1)C