| SpectraBase Spectrum ID |
3H8t7NKuZkj |
| Name |
(3,4-Dimethyl-1,4,6-triphenyl-hexa-1,5-diyn-3-yl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.203450837 u |
| Formula |
C32H26 |
| InChI |
InChI=1S/C32H26/c1-31(29-19-11-5-12-20-29,25-23-27-15-7-3-8-16-27)32(2,30-21-13-6-14-22-30)26-24-28-17-9-4-10-18-28/h3-22H,1-2H3 |
| InChIKey |
IKKLLAWMTVUWOZ-UHFFFAOYSA-N |
| Molecular Weight |
410.560 g/mol |
| SMILES |
C(C(C(C#CC1=CC=CC=C1)(C1=CC=CC=C1)C)(C1=CC=CC=C1)C)#CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966569 |
