| SpectraBase Spectrum ID |
HISn3ZVoyPu |
| Name |
2-Chloro-N-(1,1,1-trifluoro-4-phenylbut-3-yn-2-ylidene)aniline |
| 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/c17-13-8-4-5-9-14(13)21-15(16(18,19)20)11-10-12-6-2-1-3-7-12/h1-9H/b21-15- |
| InChIKey |
WZDDXEQPSDLMHF-QNGOZBTKSA-N |
| Molecular Weight |
307.703 g/mol |
| SMILES |
C=1(\N=C/(C(F)(F)F)C#CC=2C=CC=CC2)C(=CC=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924903 |
