| SpectraBase Compound ID | 8CPaSgZACcn |
|---|---|
| InChI | InChI=1S/C16H8O2/c17-13-7-3-9-1-2-10-4-8-14(18)12-6-5-11(13)15(9)16(10)12/h1-8H |
| InChIKey | XETOQIJGUBNXLQ-UHFFFAOYSA-N |
| Mol Weight | 232.24 g/mol |
| Molecular Formula | C16H8O2 |
| Exact Mass | 232.052429 g/mol |
Raman Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | z87oOVJfC9 |
|---|---|
| Name | 1,8-Pyrenedione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.052429496 u |
| Formula | C16H8O2 |
| InChI | InChI=1S/C16H8O2/c17-13-7-3-9-1-2-10-4-8-14(18)12-6-5-11(13)15(9)16(10)12/h1-8H |
| InChIKey | XETOQIJGUBNXLQ-UHFFFAOYSA-N |
| Molecular Weight | 232.238 g/mol |
| SMILES | C=1C=C2C(C=CC=3C=CC4=C(C23)C1C(=O)C=C4)=O |
| Spectrum/Structure Validation Score (Raman) | 0.958344 |