| SpectraBase Spectrum ID |
9px9nBpb1DB |
| Name |
2-Phenylamino-3-(4-bromophenylamino)-N-(2,5-dichlorophenyl)crotonic amide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
489.001030611 u |
| Formula |
C22H18BrCl2N3O |
| InChI |
InChI=1S/C22H18BrCl2N3O/c1-14(26-18-10-7-15(23)8-11-18)21(27-17-5-3-2-4-6-17)22(29)28-20-13-16(24)9-12-19(20)25/h2-13,26-27H,1H3,(H,28,29)/b21-14+ |
| InChIKey |
HSUXIMNVPCMTHS-KGENOOAVSA-N |
| Molecular Weight |
491.216 g/mol |
| SMILES |
C\C(=C\(NC1=CC=CC=C1)C(NC=1C(Cl)=CC=C(Cl)C1)=O)NC1=CC=C(C=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942549 |
