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2-[(4-{[(2,6-dimethylphenoxy)acetyl]amino}benzoyl)amino]benzoic acid

View entire compound with spectra: 2 NMR

2-[(4-{[(2,6-dimethylphenoxy)acetyl]amino}benzoyl)amino]benzoic acid
SpectraBase Compound ID JqMQ8P95lQT
InChI InChI=1S/C24H22N2O5/c1-15-6-5-7-16(2)22(15)31-14-21(27)25-18-12-10-17(11-13-18)23(28)26-20-9-4-3-8-19(20)24(29)30/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)
InChIKey FEMMOHHHQWEWSE-UHFFFAOYSA-N
Mol Weight 418.45 g/mol
Molecular Formula C24H22N2O5
Exact Mass 418.152872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JKXQzt8lEDQ
Name 2-[(4-{[(2,6-dimethylphenoxy)acetyl]amino}benzoyl)amino]benzoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.152871811 u
Formula C24H22N2O5
InChI InChI=1S/C24H22N2O5/c1-15-6-5-7-16(2)22(15)31-14-21(27)25-18-12-10-17(11-13-18)23(28)26-20-9-4-3-8-19(20)24(29)30/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)
InChIKey FEMMOHHHQWEWSE-UHFFFAOYSA-N
Molecular Weight 418.449 g/mol
SMILES N(C(C=1C=CC(NC(=O)COC=2C(=CC=CC2C)C)=CC1)=O)C1=C(C(=O)O)C=CC=C1