| SpectraBase Spectrum ID |
KjWtnO2sK0S |
| Name |
p-Acetotoluidide, 2-chloro-alpha,alpha,alpha-trifluoro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
237.016826037 u |
| Formula |
C9H7ClF3NO |
| InChI |
InChI=1S/C9H7ClF3NO/c10-5-8(15)14-7-3-1-6(2-4-7)9(11,12)13/h1-4H,5H2,(H,14,15) |
| InChIKey |
BHXKHTOSJBCCMU-UHFFFAOYSA-N |
| Molecular Weight |
237.609 g/mol |
| SMILES |
N(C1=CC=C(C=C1)C(F)(F)F)C(CCl)=O |
| Spectrum/Structure Validation Score (Raman) |
0.776502 |
