| SpectraBase Spectrum ID |
1HeMX7kZFYJ |
| Name |
1-(4-Chloro-2-nitro-phenyl)-3-phenyl-urea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.041068891 u |
| Formula |
C13H10ClN3O3 |
| InChI |
InChI=1S/C13H10ClN3O3/c14-9-6-7-11(12(8-9)17(19)20)16-13(18)15-10-4-2-1-3-5-10/h1-8H,(H2,15,16,18) |
| InChIKey |
YGDJRSABKQRHHV-UHFFFAOYSA-N |
| SMILES |
C1(N(=O)=O)=C(NC(NC2=CC=CC=C2)=O)C=CC(=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907673 |
