| SpectraBase Spectrum ID |
8mDxS41fpHE |
| Name |
[(3E)-8-Phenyl-6-(2-phenylethynyl)octa-3,5-dien-7-ynyl]benzene |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.172150708 u |
| Formula |
C28H22 |
| InChI |
InChI=1S/C28H22/c1-5-13-25(14-6-1)15-7-2-12-20-28(23-21-26-16-8-3-9-17-26)24-22-27-18-10-4-11-19-27/h1-6,8-14,16-20H,7,15H2/b12-2+ |
| InChIKey |
KJBQTYUJIFSXMF-SWGQDTFXSA-N |
| Molecular Weight |
358.484 g/mol |
| SMILES |
C(#CC1=CC=CC=C1)C(C#CC1=CC=CC=C1)=C\C=C\CCC1=CC=CC=C1 |
![[(3E)-8-phenyl-6-(2-phenylethynyl)octa-3,5-dien-7-ynyl]benzene](/api/spectrum/8mDxS41fpHE/structure.png?h=300&w=458 "[(3E)-8-phenyl-6-(2-phenylethynyl)octa-3,5-dien-7-ynyl]benzene")
