| SpectraBase Compound ID | 7oPBD2eXvaI |
|---|---|
| InChI | InChI=1S/C8H14O/c1-8(2)6-4-3-5-7(8)9/h3-6H2,1-2H3 |
| InChIKey | KNSPBSQWRKKAPI-UHFFFAOYSA-N |
| Mol Weight | 126.2 g/mol |
| Molecular Formula | C8H14O |
| Exact Mass | 126.104465 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4dEWFA8cZTb |
|---|---|
| Name | 2,2-Dimethylcyclohexanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.104465070 u |
| Formula | C8H14O |
| InChI | InChI=1S/C8H14O/c1-8(2)6-4-3-5-7(8)9/h3-6H2,1-2H3 |
| InChIKey | KNSPBSQWRKKAPI-UHFFFAOYSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | C1(=O)C(C)(C)CCCC1 |
| Spectrum/Structure Validation Score (Raman) | 0.985899 |