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N,N'-bis[2,2-(N''-(p-chlorophenyl)benzamido)]isophthalamide

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N,N'-bis[2,2-(N''-(p-chlorophenyl)benzamido)]isophthalamide
SpectraBase Compound ID B73QtIsXDsz
InChI InChI=1S/C34H24Cl2N4O4/c35-23-12-16-25(17-13-23)37-33(43)27-8-1-3-10-29(27)39-31(41)21-6-5-7-22(20-21)32(42)40-30-11-4-2-9-28(30)34(44)38-26-18-14-24(36)15-19-26/h1-20H,(H,37,43)(H,38,44)(H,39,41)(H,40,42)
InChIKey UPLBBCDRNDWUNV-UHFFFAOYSA-N
Mol Weight 623.5 g/mol
Molecular Formula C34H24Cl2N4O4
Exact Mass 622.117461 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JeZFpwaDKa5
Name N,N'-bis[2,2-(N''-(p-chlorophenyl)benzamido)]isophthalamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 622.117460665 u
Formula C34H24Cl2N4O4
InChI InChI=1S/C34H24Cl2N4O4/c35-23-12-16-25(17-13-23)37-33(43)27-8-1-3-10-29(27)39-31(41)21-6-5-7-22(20-21)32(42)40-30-11-4-2-9-28(30)34(44)38-26-18-14-24(36)15-19-26/h1-20H,(H,37,43)(H,38,44)(H,39,41)(H,40,42)
InChIKey UPLBBCDRNDWUNV-UHFFFAOYSA-N
Molecular Weight 623.496 g/mol
SMILES C(C=1C(NC(C=2C=C(C(NC3=C(C(NC=4C=CC(=CC4)Cl)=O)C=CC=C3)=O)C=CC2)=O)=CC=CC1)(NC1=CC=C(C=C1)Cl)=O