| SpectraBase Spectrum ID |
KMDR53RFchN |
| Name |
2,2,2-Trifluoro-N-(2-(phenylethynyl)phenyl)acetimidoyl chloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
307.037561483 u |
| Formula |
C16H9ClF3N |
| InChI |
InChI=1S/C16H9ClF3N/c17-15(16(18,19)20)21-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H/b21-15- |
| InChIKey |
JKCMCLVHHNBQNK-QNGOZBTKSA-N |
| Molecular Weight |
307.703 g/mol |
| SMILES |
C1(\N=C\(C(F)(F)F)Cl)=CC=CC=C1C#CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835254 |
