| SpectraBase Spectrum ID |
ArqDpUkTJOu |
| Name |
(Phenyl)(4-trifluoromethylphenyl)ethyne |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.065634779 u |
| Formula |
C15H9F3 |
| InChI |
InChI=1S/C15H9F3/c16-15(17,18)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H |
| InChIKey |
VGHFZQHSVAXZFS-UHFFFAOYSA-N |
| Molecular Weight |
246.232 g/mol |
| SMILES |
C(C=1C=CC(C#CC=2C=CC=CC2)=CC1)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878508 |
