| SpectraBase Spectrum ID |
1AnxgmX7GNe |
| Name |
1-Benzoyl-3-(3-chloro-o-tolyl)urea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.066555365 u |
| Formula |
C15H13ClN2O2 |
| InChI |
InChI=1S/C15H13ClN2O2/c1-10-12(16)8-5-9-13(10)17-15(20)18-14(19)11-6-3-2-4-7-11/h2-9H,1H3,(H2,17,18,19,20) |
| InChIKey |
WJRKJNHASLLFIE-UHFFFAOYSA-N |
| SMILES |
N(C1=CC=CC(=C1C)Cl)C(NC(C=1C=CC=CC1)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.938628 |