![2-[8-(3,6-Diketocyclohexa-1,4-dien-1-yl)octa-3,5-diynyl]-p-benzoquinone](/api/spectrum/32O0ZjqGCMR/structure.png?h=300&w=458 "2-[8-(3,6-Diketocyclohexa-1,4-dien-1-yl)octa-3,5-diynyl]-p-benzoquinone")
| SpectraBase Compound ID | 5eUbHIGSLZx |
|---|---|
| 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 |
| Mol Weight | 318.33 g/mol |
| Molecular Formula | C20H14O4 |
| Exact Mass | 318.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 32O0ZjqGCMR |
|---|---|
| Name | 2-[8-(3,6-Diketocyclohexa-1,4-dien-1-yl)octa-3,5-diynyl]-p-benzoquinone |
| Comments | Computed using HOSE algorithm |
| 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 |