| SpectraBase Spectrum ID |
HLEAHXe8im4 |
| Name |
2-[8-(3,6-Diketocyclohexa-1,4-dien-1-yl)octa-3,5-diynyl]-p-benzoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.089208927 u |
| Formula |
C20H14O4 |
| InChI |
InChI=1S/C20H14O4/c21-17-9-11-19(23)15(13-17)7-5-3-1-2-4-6-8-16-14-18(22)10-12-20(16)24/h9-14H,5-8H2 |
| InChIKey |
YMKKYOSRWBKZCZ-UHFFFAOYSA-N |
| Molecular Weight |
318.328 g/mol |
| SMILES |
C1(=CC(=O)C=CC1=O)CCC#CC#CCCC1=CC(=O)C=CC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881345 |
![2-[8-(3,6-Diketocyclohexa-1,4-dien-1-yl)octa-3,5-diynyl]-p-benzoquinone](/api/spectrum/HLEAHXe8im4/structure.png?h=300&w=458 "2-[8-(3,6-Diketocyclohexa-1,4-dien-1-yl)octa-3,5-diynyl]-p-benzoquinone")
