| SpectraBase Spectrum ID |
3PXrjhbgRkZ |
| Name |
2-[[4-[(4-Chlorophenyl)carbonylamino]phenyl]carbonylamino]benzoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.072034667 u |
| Formula |
C21H15ClN2O4 |
| InChI |
InChI=1S/C21H15ClN2O4/c22-15-9-5-13(6-10-15)19(25)23-16-11-7-14(8-12-16)20(26)24-18-4-2-1-3-17(18)21(27)28/h1-12H,(H,23,25)(H,24,26)(H,27,28) |
| InChIKey |
NGLGNHNJQPCNFJ-UHFFFAOYSA-N |
| Molecular Weight |
394.814 g/mol |
| SMILES |
C1(=C(NC(C2=CC=C(NC(C=3C=CC(=CC3)Cl)=O)C=C2)=O)C=CC=C1)C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843923 |
![2-[[4-[(4-Chlorophenyl)carbonylamino]phenyl]carbonylamino]benzoic acid](/api/spectrum/3PXrjhbgRkZ/structure.png?h=300&w=458 "2-[[4-[(4-Chlorophenyl)carbonylamino]phenyl]carbonylamino]benzoic acid")
