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3-((3-[(3-Carboxyanilino)carbonyl]benzoyl)amino)benzoic acid

View entire compound with spectra: 2 MS (GC)

3-((3-[(3-Carboxyanilino)carbonyl]benzoyl)amino)benzoic acid
SpectraBase Compound ID E4TR39O5nMC
InChI InChI=1S/C22H16N2O6/c25-19(23-17-8-2-6-15(11-17)21(27)28)13-4-1-5-14(10-13)20(26)24-18-9-3-7-16(12-18)22(29)30/h1-12H,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
InChIKey IFJMMXLLAWHUJO-UHFFFAOYSA-N
Mol Weight 404.38 g/mol
Molecular Formula C22H16N2O6
Exact Mass 404.100836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxS9xuSnlhM
Name N,N'-ISOPHTHALOYLBIS(3-AMINOBENZOIC ACID)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H16N2O6
InChI InChI=1S/C22H16N2O6/c25-19(23-17-8-2-6-15(11-17)21(27)28)13-4-1-5-14(10-13)20(26)24-18-9-3-7-16(12-18)22(29)30/h1-12H,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
InChIKey IFJMMXLLAWHUJO-UHFFFAOYSA-N
Molecular Weight 404.1004
SMILES OC(c1cc(NC(c2cccc(C(Nc3cccc(C(O)=O)c3)=O)c2)=O)ccc1)=O
SPLASH splash10-00kf-9000000000-5e0a88bffebf3bc43898
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany