![Bicyclo[3.2.2]nonane-6,8-dione](/api/spectrum/4hD4J3aRUTf/structure.png?h=300&w=458 "Bicyclo[3.2.2]nonane-6,8-dione")
| SpectraBase Compound ID | 7hMWy9se4wX |
|---|---|
| InChI | InChI=1S/C9H12O2/c10-8-5-7-3-1-2-6(8)4-9(7)11/h6-7H,1-5H2/t6-,7-/m0/s1 InChI=1S/C9H12O2/c10-8-5-7-3-1-2-6(8)4-9(7)11/h6-7H,1-5H2/t6-,7-/m1/s1 |
| InChIKey | XQMMPZLKHKUSOV-BQBZGAKWSA-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 | 4hD4J3aRUTf |
|---|---|
| Name | Bicyclo[3.2.2]nonane-6,8-dione |
| 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/c10-8-5-7-3-1-2-6(8)4-9(7)11/h6-7H,1-5H2/t6-,7-/m0/s1 |
| InChIKey | XQMMPZLKHKUSOV-BQBZGAKWSA-N |
| Molecular Weight | 152.193 g/mol |
| SMILES | C1C([C@]2(CCC[C@@]1(C(C2)=O)[H])[H])=O |
| Spectrum/Structure Validation Score (Raman) | 0.979755 |