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9,10-Anthracenedione, 2,7-bis[(6-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-

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9,10-Anthracenedione, 2,7-bis[(6-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-
SpectraBase Compound ID JFIaXABKMe4
InChI InChI=1S/C42H20Cl2N2O6/c43-19-7-11-25-29(15-19)38(48)27-3-1-5-33(35(27)41(25)51)45-21-9-13-23-31(17-21)40(50)32-18-22(10-14-24(32)37(23)47)46-34-6-2-4-28-36(34)42(52)26-12-8-20(44)16-30(26)39(28)49/h1-18,45-46H
InChIKey FZJDKXUKXYJMKY-UHFFFAOYSA-N
Mol Weight 719.5 g/mol
Molecular Formula C42H20Cl2N2O6
Exact Mass 718.069842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CfSeldbDpDC
Name 9,10-Anthracenedione, 2,7-bis[(6-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 718.069841766 u
Formula C42H20Cl2N2O6
InChI InChI=1S/C42H20Cl2N2O6/c43-19-7-11-25-29(15-19)38(48)27-3-1-5-33(35(27)41(25)51)45-21-9-13-23-31(17-21)40(50)32-18-22(10-14-24(32)37(23)47)46-34-6-2-4-28-36(34)42(52)26-12-8-20(44)16-30(26)39(28)49/h1-18,45-46H
InChIKey FZJDKXUKXYJMKY-UHFFFAOYSA-N
Molecular Weight 719.536 g/mol
SMILES N(C=1C=2C(C=3C=CC(=CC3C(C2C=CC1)=O)Cl)=O)C1=CC=C2C(C(C=3C=C(C=CC3C2=O)NC2=C3C(=CC=C2)C(C2=C(C3=O)C=CC(=C2)Cl)=O)=O)=C1