| SpectraBase Spectrum ID |
DjVxn89Rk34 |
| Name |
9-(2'-Phenylethynyl)-triptycene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.140850580 u |
| Formula |
C28H18 |
| InChI |
InChI=1S/C28H18/c1-2-10-20(11-3-1)18-19-28-24-15-7-4-12-21(24)27(22-13-5-8-16-25(22)28)23-14-6-9-17-26(23)28/h1-17,27H |
| InChIKey |
WTHDQTUBWFGYLG-UHFFFAOYSA-N |
| Molecular Weight |
354.452 g/mol |
| SMILES |
C12(C=3C(C(C4=C2C=CC=C4)C=2C1=CC=CC2)=CC=CC3)C#CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964811 |
