![[Bicyclohexyl]-4-one](/api/spectrum/I6bffB05Jxo/structure.png?h=300&w=458 "[Bicyclohexyl]-4-one")
| SpectraBase Compound ID | DP43u3r7Pwa |
|---|---|
| InChI | InChI=1S/C12H20O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h10-11H,1-9H2 |
| InChIKey | JLYNSPSTPQAEAX-UHFFFAOYSA-N |
| Mol Weight | 180.29 g/mol |
| Molecular Formula | C12H20O |
| Exact Mass | 180.151415 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | I6bffB05Jxo |
|---|---|
| Name | [Bicyclohexyl]-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.151415263 u |
| Formula | C12H20O |
| InChI | InChI=1S/C12H20O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h10-11H,1-9H2 |
| InChIKey | JLYNSPSTPQAEAX-UHFFFAOYSA-N |
| Molecular Weight | 180.291 g/mol |
| SMILES | C1C(CCCC1)C1CCC(CC1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.931241 |