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N-(3-chlorophenyl)-3-[[4-(2,5-dimethoxybenzoyl)benzoyl]amino]benzamide
SpectraBase Compound ID 2MdktpQLQfq
InChI InChI=1S/C29H23ClN2O5/c1-36-24-13-14-26(37-2)25(17-24)27(33)18-9-11-19(12-10-18)28(34)31-22-7-3-5-20(15-22)29(35)32-23-8-4-6-21(30)16-23/h3-17H,1-2H3,(H,31,34)(H,32,35)
InChIKey FKNUBEUMISDGMA-UHFFFAOYSA-N
Mol Weight 514.97 g/mol
Molecular Formula C29H23ClN2O5
Exact Mass 514.12955 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IOlGkKExbdN
Name N-(3-Chlorophenyl)-3-[[4-(2,5-dimethoxybenzoyl)benzoyl]amino]benzamide
Comments Computed using HOSE algorithm
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Exact Mass 514.129549544 u
Formula C29H23ClN2O5
InChI InChI=1S/C29H23ClN2O5/c1-36-24-13-14-26(37-2)25(17-24)27(33)18-9-11-19(12-10-18)28(34)31-22-7-3-5-20(15-22)29(35)32-23-8-4-6-21(30)16-23/h3-17H,1-2H3,(H,31,34)(H,32,35)
InChIKey FKNUBEUMISDGMA-UHFFFAOYSA-N
Molecular Weight 514.965 g/mol
SMILES C1(C(C2=CC=C(C(NC=3C=C(C(NC=4C=C(Cl)C=CC4)=O)C=CC3)=O)C=C2)=O)=C(C=CC(=C1)OC)OC