4-[[2-(o-Toluoylamino)benzoyl]amino]benzoic acid

SpectraBase Compound ID	3GpRbXGLwQJ
InChI	InChI=1S/C22H18N2O4/c1-14-6-2-3-7-17(14)20(25)24-19-9-5-4-8-18(19)21(26)23-16-12-10-15(11-13-16)22(27)28/h2-13H,1H3,(H,23,26)(H,24,25)(H,27,28)
InChIKey	ALDVUFUYFGLQFF-UHFFFAOYSA-N Google Search
Mol Weight	374.4 g/mol
Molecular Formula	C22H18N2O4
Exact Mass	374.126657 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	p9pHr8Jr6j
Name	4-[[2-(o-Toluoylamino)benzoyl]amino]benzoic acid
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	374.126657064 u
Formula	C22H18N2O4
InChI	InChI=1S/C22H18N2O4/c1-14-6-2-3-7-17(14)20(25)24-19-9-5-4-8-18(19)21(26)23-16-12-10-15(11-13-16)22(27)28/h2-13H,1H3,(H,23,26)(H,24,25)(H,27,28)
InChIKey	ALDVUFUYFGLQFF-UHFFFAOYSA-N
Molecular Weight	374.396 g/mol
SMILES	C(C1=C(NC(C2=C(C)C=CC=C2)=O)C=CC=C1)(NC=1C=CC(C(=O)O)=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.963879