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4,4'-Iminobis(1-benzamidoanthraquinone)
SpectraBase Compound ID 9lprBzSFmLG
InChI InChI=1S/C42H25N3O6/c46-37-25-15-7-9-17-27(25)39(48)35-31(44-41(50)23-11-3-1-4-12-23)21-19-29(33(35)37)43-30-20-22-32(45-42(51)24-13-5-2-6-14-24)36-34(30)38(47)26-16-8-10-18-28(26)40(36)49/h1-22,43H,(H,44,50)(H,45,51)
InChIKey OZMARZSNLQTLII-UHFFFAOYSA-N
Mol Weight 667.7 g/mol
Molecular Formula C42H25N3O6
Exact Mass 667.174336 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID El2ms2Mkpr3
Name 4,4'-Iminobis(1-benzamidoanthraquinone)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 667.174335531 u
Formula C42H25N3O6
InChI InChI=1S/C42H25N3O6/c46-37-25-15-7-9-17-27(25)39(48)35-31(44-41(50)23-11-3-1-4-12-23)21-19-29(33(35)37)43-30-20-22-32(45-42(51)24-13-5-2-6-14-24)36-34(30)38(47)26-16-8-10-18-28(26)40(36)49/h1-22,43H,(H,44,50)(H,45,51)
InChIKey OZMARZSNLQTLII-UHFFFAOYSA-N
SMILES N(C=1C=2C(C=3C=CC=CC3C(C2C(=CC1)NC(C1=CC=CC=C1)=O)=O)=O)C=1C2=C(C(=CC1)NC(C1=CC=CC=C1)=O)C(C=1C=CC=CC1C2=O)=O