| SpectraBase Spectrum ID |
nsZJHeoW6y |
| Name |
3-(6-Chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-1,1-dimethylurea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.043375138 u |
| Formula |
C10H10ClF3N2O |
| InChI |
InChI=1S/C10H10ClF3N2O/c1-16(2)9(17)15-8-5-6(10(12,13)14)3-4-7(8)11/h3-5H,1-2H3,(H,15,17) |
| InChIKey |
WPKYGXCUDANURX-UHFFFAOYSA-N |
| Molecular Weight |
266.651 g/mol |
| SMILES |
N(C1=CC(=CC=C1Cl)C(F)(F)F)C(N(C)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.830058 |
