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2,4-dichloro-N-(2-chloro-4-(12,14-dioxo-11,12,14,15-tetrahydro-9H-9,10-[3,4]epipyrroloanthracen-13(10H)-yl)phenyl)benzamide

View entire compound with spectra: 2 NMR

2,4-dichloro-N-(2-chloro-4-(12,14-dioxo-11,12,14,15-tetrahydro-9H-9,10-[3,4]epipyrroloanthracen-13(10H)-yl)phenyl)benzamide
SpectraBase Compound ID 8pWZJjldHm
InChI InChI=1S/C31H19Cl3N2O3/c32-15-9-11-21(22(33)13-15)29(37)35-24-12-10-16(14-23(24)34)36-30(38)27-25-17-5-1-2-6-18(17)26(28(27)31(36)39)20-8-4-3-7-19(20)25/h1-14,25-28H,(H,35,37)/t25-,26+,27-,28+
InChIKey NEIFGEBIVSJLSR-KMKVIZFGSA-N
Mol Weight 573.86 g/mol
Molecular Formula C31H19Cl3N2O3
Exact Mass 572.046126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1BQxoUucppw
Name 2,4-Dichloro-N-(2-chloro-4-(12,14-dioxo-11,12,14,15-tetrahydro-9H-9,10-[3,4]epipyrroloanthracen-13(10H)-yl)phenyl)benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 572.046125577 u
Formula C31H19Cl3N2O3
InChI InChI=1S/C31H19Cl3N2O3/c32-15-9-11-21(22(33)13-15)29(37)35-24-12-10-16(14-23(24)34)36-30(38)27-25-17-5-1-2-6-18(17)26(28(27)31(36)39)20-8-4-3-7-19(20)25/h1-14,25-28H,(H,35,37)/t25-,26+,27-,28+
InChIKey NEIFGEBIVSJLSR-KMKVIZFGSA-N
Molecular Weight 573.863 g/mol
SMILES N(C(C1=C(C=C(C=C1)Cl)Cl)=O)C=1C=CC(N2C([C@@]3([C@]4(C=5C=CC=CC5[C@@]([C@@]3(C2=O)[H])(C=2C=CC=CC42)[H])[H])[H])=O)=CC1Cl