| SpectraBase Spectrum ID |
KOStSqcqTLM |
| Name |
2,2,2-Trichloro-alpha,alpha,alpha-trifluoro-m-acetotoluidide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.938881373 u |
| Formula |
C9H5Cl3F3NO |
| InChI |
InChI=1S/C9H5Cl3F3NO/c10-8(11,12)7(17)16-6-3-1-2-5(4-6)9(13,14)15/h1-4H,(H,16,17) |
| InChIKey |
KQIOOEOHDXWXQY-UHFFFAOYSA-N |
| Molecular Weight |
306.499 g/mol |
| SMILES |
N(C1=CC=CC(=C1)C(F)(F)F)C(C(Cl)(Cl)Cl)=O |
| Spectrum/Structure Validation Score (Raman) |
0.774413 |
