| SpectraBase Compound ID | 108fMFCqov2 |
|---|---|
| InChI | InChI=1S/C8H14O/c1-6-3-7(2)5-8(9)4-6/h6-7H,3-5H2,1-2H3 |
| InChIKey | MSANHHHQJYQEOK-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 | KOpSNVZSGtJ |
|---|---|
| Name | cis-3,5-Dimethylcyclohexanon |
| 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/c1-6-3-7(2)5-8(9)4-6/h6-7H,3-5H2,1-2H3 |
| InChIKey | MSANHHHQJYQEOK-UHFFFAOYSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | C1(=O)CC(CC(C1)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.973828 |