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4,4'-Bis(4-ethoxycarbonylphenylamino)-5,5'-bis(4-ethoxycarbonylphenylimino)-2,5,2',5'-tetrahydro-1H,1'H-2,2'-ethane-1,2-diylidenebisimidazole

View entire compound with spectra: 1 MS (GC)

4,4'-Bis(4-ethoxycarbonylphenylamino)-5,5'-bis(4-ethoxycarbonylphenylimino)-2,5,2',5'-tetrahydro-1H,1'H-2,2'-ethane-1,2-diylidenebisimidazole
SpectraBase Compound ID 5tIkVzQPsvR
InChI InChI=1S/C44H42N8O8/c1-5-57-41(53)27-9-17-31(18-10-27)45-37-38(46-32-19-11-28(12-20-32)42(54)58-6-2)50-35(49-37)25-26-36-51-39(47-33-21-13-29(14-22-33)43(55)59-7-3)40(52-36)48-34-23-15-30(16-24-34)44(56)60-8-4/h9-26H,5-8H2,1-4H3,(H,45,49)(H,46,50)(H,47,51)(H,48,52)
InChIKey CIJYCEUDYKKTKB-UHFFFAOYSA-N
Mol Weight 810.9 g/mol
Molecular Formula C44H42N8O8
Exact Mass 810.31256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2euCfPUKTg
Name 4,4'-Bis(4-ethoxycarbonylphenylamino)-5,5'-bis(4-ethoxycarbonylphenylimino)-2,5,2',5'-tetrahydro-1H,1'H-2,2'-ethane-1,2-diylidenebisimidazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H42N8O8
InChI InChI=1S/C44H42N8O8/c1-5-57-41(53)27-9-17-31(18-10-27)45-37-38(46-32-19-11-28(12-20-32)42(54)58-6-2)50-35(49-37)25-26-36-51-39(47-33-21-13-29(14-22-33)43(55)59-7-3)40(52-36)48-34-23-15-30(16-24-34)44(56)60-8-4/h9-26H,5-8H2,1-4H3,(H,45,49)(H,46,50)(H,47,51)(H,48,52)
InChIKey CIJYCEUDYKKTKB-UHFFFAOYSA-N
Molecular Weight 810.868 g/mol
SMILES N1\C(C(=N\C1=C\C=C\1N=C(\C(N1)=N\c1ccc(C(=O)OCC)cc1)Nc1ccc(C(=O)OCC)cc1)Nc1ccc(C(=O)OCC)cc1)=N/c1ccc(C(=O)OCC)cc1
SPLASH splash10-0udu-0900000000-3af706405d4ba9327c75
Source of Spectrum SO-0-1303-4
Wiley ID 874033