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Decanediamide, N,N'-bis(9,10-dioxo-9,10-dihydro-1-anthracenyl)-

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Decanediamide, N,N'-bis(9,10-dioxo-9,10-dihydro-1-anthracenyl)-
SpectraBase Compound ID UwbIFJpr29
InChI InChI=1S/C38H32N2O6/c41-31(39-29-19-11-17-27-33(29)37(45)25-15-9-7-13-23(25)35(27)43)21-5-3-1-2-4-6-22-32(42)40-30-20-12-18-28-34(30)38(46)26-16-10-8-14-24(26)36(28)44/h7-20H,1-6,21-22H2,(H,39,41)(H,40,42)
InChIKey CIIXULAGZDOFGL-UHFFFAOYSA-N
Mol Weight 612.7 g/mol
Molecular Formula C38H32N2O6
Exact Mass 612.226037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bs9jAbAq1Ux
Name Decanediamide, N,N'-bis(9,10-dioxo-9,10-dihydro-1-anthracenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 612.226036752 u
Formula C38H32N2O6
InChI InChI=1S/C38H32N2O6/c41-31(39-29-19-11-17-27-33(29)37(45)25-15-9-7-13-23(25)35(27)43)21-5-3-1-2-4-6-22-32(42)40-30-20-12-18-28-34(30)38(46)26-16-10-8-14-24(26)36(28)44/h7-20H,1-6,21-22H2,(H,39,41)(H,40,42)
InChIKey CIIXULAGZDOFGL-UHFFFAOYSA-N
Molecular Weight 612.682 g/mol
SMILES C1=2C(C3=C(C(C2C=CC=C1NC(=O)CCCCCCCCC(NC1=C2C(C4=C(C(C2=CC=C1)=O)C=CC=C4)=O)=O)=O)C=CC=C3)=O