![Bicyclo[3.3.1]nonane-3,7-quinone](/api/spectrum/LSoDcxYengl/structure.png?h=300&w=458 "Bicyclo[3.3.1]nonane-3,7-quinone")
| SpectraBase Compound ID | EEVo6FG6J0m |
|---|---|
| InChI | 1S/C9H12O2/c10-8-2-6-1-7(4-8)5-9(11)3-6/h6-7H,1-5H2 |
| InChIKey | KIKCULSOJJAIEB-UHFFFAOYSA-N |
| Mol Weight | 152.19 g/mol |
| Molecular Formula | C9H12O2 |
| Exact Mass | 152.08373 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LSoDcxYengl |
|---|---|
| Name | Bicyclo[3.3.1]nonane-3,7-quinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.083729624 u |
| Formula | C9H12O2 |
| InChI | InChI=1S/C9H12O2/c10-8-2-6-1-7(4-8)5-9(11)3-6/h6-7H,1-5H2 |
| InChIKey | KIKCULSOJJAIEB-UHFFFAOYSA-N |
| Molecular Weight | 152.193 g/mol |
| SMILES | C1(=O)CC2CC(CC(C1)C2)=O |
| Spectrum/Structure Validation Score (Raman) | 0.957032 |