| SpectraBase Spectrum ID |
1FLXoMXoFxm |
| Name |
1,5-Dimethyl-4,8-diphenyl-2,6-bis(phenylethynyl) bicyclo[3.3.0]octa-2,6-diene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
486.234750966 u |
| Formula |
C38H30 |
| InChI |
InChI=1S/C38H30/c1-37-33(25-23-29-15-7-3-8-16-29)27-36(32-21-13-6-14-22-32)38(37,2)34(26-24-30-17-9-4-10-18-30)28-35(37)31-19-11-5-12-20-31/h3-22,27-28,35-36H,1-2H3 |
| InChIKey |
DHHIIHPAPOOLFS-UHFFFAOYSA-N |
| Molecular Weight |
486.658 g/mol |
| SMILES |
C12(C(C(C#CC3=CC=CC=C3)=CC1C1=CC=CC=C1)(C(C=1C=CC=CC1)C=C2C#CC=1C=CC=CC1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918688 |
![1,5-Dimethyl-4,8-diphenyl-2,6-bis(phenylethynyl) bicyclo[3.3.0]octa-2,6-diene](/api/spectrum/1FLXoMXoFxm/structure.png?h=300&w=458 "1,5-Dimethyl-4,8-diphenyl-2,6-bis(phenylethynyl) bicyclo[3.3.0]octa-2,6-diene")
