| SpectraBase Spectrum ID |
Kt6PiwT0Zmi |
| Name |
1-Methoxy-2-((3-(trifluoromethyl)phenyl)ethynyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.076199462 u |
| Formula |
C16H11F3O |
| InChI |
InChI=1S/C16H11F3O/c1-20-15-8-3-2-6-13(15)10-9-12-5-4-7-14(11-12)16(17,18)19/h2-8,11H,1H3 |
| InChIKey |
MPMIYESOCCJSMZ-UHFFFAOYSA-N |
| Molecular Weight |
276.258 g/mol |
| SMILES |
C=1C=C(C#CC2=CC(=CC=C2)C(F)(F)F)C(OC)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845137 |
