| SpectraBase Spectrum ID |
2iMvxl1nxrx |
| Name |
1-Bromo-4-(m-tolylethynyl)-2-(trifluoromethyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
337.991797811 u |
| Formula |
C16H10BrF3 |
| InChI |
InChI=1S/C16H10BrF3/c1-11-3-2-4-12(9-11)5-6-13-7-8-15(17)14(10-13)16(18,19)20/h2-4,7-10H,1H3 |
| InChIKey |
XYTVZBJBNNVFQV-UHFFFAOYSA-N |
| Molecular Weight |
339.155 g/mol |
| SMILES |
C1(C(F)(F)F)=C(C=CC(C#CC=2C=C(C)C=CC2)=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863568 |
