| SpectraBase Spectrum ID |
J5evUxfUUjV |
| Name |
Benzoic acid, 2-[5-bromo-2-(phenylamino)benzoyl]-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.031356376 u |
| Formula |
C21H16BrNO3 |
| InChI |
InChI=1S/C21H16BrNO3/c1-26-21(25)17-10-6-5-9-16(17)20(24)18-13-14(22)11-12-19(18)23-15-7-3-2-4-8-15/h2-13,23H,1H3 |
| InChIKey |
YWSWODOJPQSDSR-UHFFFAOYSA-N |
| Molecular Weight |
410.267 g/mol |
| SMILES |
C=1(C(C=2C(C(=O)OC)=CC=CC2)=O)C(NC=2C=CC=CC2)=CC=C(C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890938 |
![Benzoic acid, 2-[5-bromo-2-(phenylamino)benzoyl]-, methyl ester](/api/spectrum/J5evUxfUUjV/structure.png?h=300&w=458 "Benzoic acid, 2-[5-bromo-2-(phenylamino)benzoyl]-, methyl ester")
