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1,4-Di({5-[(5-{N,N-dimethylamino}-1-naphthyl)ethynyl]-1-naphthyl}ethynyl)benzene
SpectraBase Compound ID 6LjPhFhcsFF
InChI InChI=1S/C58H40N2/c1-59(2)57-27-11-23-53-47(17-9-25-55(53)57)39-37-45-15-7-19-49-43(13-5-21-51(45)49)35-33-41-29-31-42(32-30-41)34-36-44-14-6-22-52-46(16-8-20-50(44)52)38-40-48-18-10-26-56-54(48)24-12-28-58(56)60(3)4/h5-32H,1-4H3
InChIKey NOOKNZQYEUGBAR-UHFFFAOYSA-N
Mol Weight 765.0 g/mol
Molecular Formula C58H40N2
Exact Mass 764.319149 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EXCsxiSI0j5
Name 1,4-di({5-[(5-{N,N-Dimethylamino}-1-naphthyl)ethynyl]-1-naphthyl}ethynyl)benzene
Comments Computed using HOSE algorithm
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Exact Mass 764.319149296 u
Formula C58H40N2
InChI InChI=1S/C58H40N2/c1-59(2)57-27-11-23-53-47(17-9-25-55(53)57)39-37-45-15-7-19-49-43(13-5-21-51(45)49)35-33-41-29-31-42(32-30-41)34-36-44-14-6-22-52-46(16-8-20-50(44)52)38-40-48-18-10-26-56-54(48)24-12-28-58(56)60(3)4/h5-32H,1-4H3
InChIKey NOOKNZQYEUGBAR-UHFFFAOYSA-N
Molecular Weight 764.972 g/mol
SMILES C=1(C=CC(=CC1)C#CC=1C=CC=C2C(=CC=CC12)C#CC=1C=CC=C2C(=CC=CC12)N(C)C)C#CC=1C=CC=C2C(=CC=CC12)C#CC=1C=CC=C2C(=CC=CC12)N(C)C