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[1,1'-Biphenyl]-4-carboxamide, 4',4'''-azobis[N-(9,10-dihydro-9,10-dioxo-1-anthracenyl)-
SpectraBase Compound ID 9nOBS7wjpZ
InChI InChI=1S/C54H32N4O6/c59-49-39-7-1-3-9-41(39)51(61)47-43(49)11-5-13-45(47)55-53(63)35-19-15-31(16-20-35)33-23-27-37(28-24-33)57-58-38-29-25-34(26-30-38)32-17-21-36(22-18-32)54(64)56-46-14-6-12-44-48(46)52(62)42-10-4-2-8-40(42)50(44)60/h1-30H,(H,55,63)(H,56,64)/b58-57-
InChIKey AJDUTMFFZHIJEM-RMAUGIHPSA-N
Mol Weight 832.9 g/mol
Molecular Formula C54H32N4O6
Exact Mass 832.232185 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BtkhBy8ixfI
Name [1,1'-Biphenyl]-4-carboxamide, 4',4'''-azobis[N-(9,10-dihydro-9,10-dioxo-1-anthracenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 832.232184760 u
Formula C54H32N4O6
InChI InChI=1S/C54H32N4O6/c59-49-39-7-1-3-9-41(39)51(61)47-43(49)11-5-13-45(47)55-53(63)35-19-15-31(16-20-35)33-23-27-37(28-24-33)57-58-38-29-25-34(26-30-38)32-17-21-36(22-18-32)54(64)56-46-14-6-12-44-48(46)52(62)42-10-4-2-8-40(42)50(44)60/h1-30H,(H,55,63)(H,56,64)/b58-57-
InChIKey AJDUTMFFZHIJEM-RMAUGIHPSA-N
Molecular Weight 832.872 g/mol
SMILES N(C1=CC=CC2=C1C(C1=C(C2=O)C=CC=C1)=O)C(C1=CC=C(C2=CC=C(\N=N/C3=CC=C(C4=CC=C(C(NC5=CC=CC6=C5C(C5=C(C6=O)C=CC=C5)=O)=O)C=C4)C=C3)C=C2)C=C1)=O