| SpectraBase Spectrum ID |
ICEo18nfzXv |
| Name |
2-[[2-(m-Tolylethynyl)benzyl]oxy]benzonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.131014170 u |
| Formula |
C23H17NO |
| InChI |
InChI=1S/C23H17NO/c1-18-7-6-8-19(15-18)13-14-20-9-2-3-11-22(20)17-25-23-12-5-4-10-21(23)16-24/h2-12,15H,17H2,1H3 |
| InChIKey |
SMXVXSHTYBBAEV-UHFFFAOYSA-N |
| Molecular Weight |
323.395 g/mol |
| SMILES |
C(C=1C(=CC=CC1)OCC=1C(=CC=CC1)C#CC=1C=CC=C(C1)C)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921307 |
![2-[[2-(m-Tolylethynyl)benzyl]oxy]benzonitrile](/api/spectrum/ICEo18nfzXv/structure.png?h=300&w=458 "2-[[2-(m-Tolylethynyl)benzyl]oxy]benzonitrile")
