| SpectraBase Spectrum ID |
JLSJQZBa4ie |
| Name |
4-Chloro-A,A,A-trifluoro-o-benzotoluidide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.032476102 u |
| Formula |
C14H9ClF3NO |
| InChI |
InChI=1S/C14H9ClF3NO/c15-10-7-5-9(6-8-10)13(20)19-12-4-2-1-3-11(12)14(16,17)18/h1-8H,(H,19,20) |
| InChIKey |
HTIFYGBRJKEMSV-UHFFFAOYSA-N |
| Molecular Weight |
299.680 g/mol |
| SMILES |
N(C=1C=CC=CC1C(F)(F)F)C(C=1C=CC(=CC1)Cl)=O |
| Spectrum/Structure Validation Score (Raman) |
0.908533 |
