![[6.6]-(1,4)-CYCLOOCTATETRAENOPHANE](/api/spectrum/CKWP9CLOOb7/structure.png?h=300&w=458 "[6.6]-(1,4)-CYCLOOCTATETRAENOPHANE")
| SpectraBase Compound ID | 5l4o3rbXQit |
|---|---|
| InChI | InChI=1S/C28H20/c1-2-6-14-26-18-11-12-20-28(24-23-26)16-8-4-3-7-15-27-19-10-9-17-25(13-5-1)21-22-27/h5-24H/b10-9-,12-11-,13-5-,14-6-,15-7-,16-8-,17-9-,18-11-,19-10-,20-12-,22-21-,24-23-,25-13-,25-17-,25-21-,26-14-,26-18-,26-23-,27-15-,27-19-,27-22-,28-16-,28-20-,28-24- |
| InChIKey | MDIJLUVQNHPGTE-AHEVIXRLSA-N |
| Mol Weight | 356.47 g/mol |
| Molecular Formula | C28H20 |
| Exact Mass | 356.156501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CKWP9CLOOb7 |
|---|---|
| Name | [6.6]-(1,4)-CYCLOOCTATETRAENOPHANE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H20 |
| InChI | InChI=1S/C28H20/c1-2-6-14-26-18-11-12-20-28(24-23-26)16-8-4-3-7-15-27-19-10-9-17-25(13-5-1)21-22-27/h5-24H/b10-9-,12-11-,13-5-,14-6-,15-7-,16-8-,17-9-,18-11-,19-10-,20-12-,22-21-,24-23-,25-13-,25-17-,25-21-,26-14-,26-18-,26-23-,27-15-,27-19-,27-22-,28-16-,28-20-,28-24- |
| InChIKey | MDIJLUVQNHPGTE-AHEVIXRLSA-N |
| Literature Reference Author | R.M.MORIARTY,D.PAVLOVIC |
| Literature Reference Citation | J.ORG.CHEM.,69,5501(2004) |
| Literature Reference DOI | 10.1021/jo049643d |
| Molecular Weight | 356.467 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWVN22145 |