| SpectraBase Spectrum ID |
93LwmlNwPZv |
| Name |
5-Fluoro-2-[[2-(phenylethynyl)benzyl]oxy]benzonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.105942237 u |
| Formula |
C22H14FNO |
| InChI |
InChI=1S/C22H14FNO/c23-21-12-13-22(20(14-21)15-24)25-16-19-9-5-4-8-18(19)11-10-17-6-2-1-3-7-17/h1-9,12-14H,16H2 |
| InChIKey |
VIFQELJDYYJOJK-UHFFFAOYSA-N |
| Molecular Weight |
327.358 g/mol |
| SMILES |
C(C=1C(=CC=C(C1)F)OCC=1C(=CC=CC1)C#CC=1C=CC=CC1)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917104 |
