| SpectraBase Compound ID | Fjvdl8HAGRL |
|---|---|
| InChI | InChI=1S/C7H12O2/c1-7(9)4-2-6(8)3-5-7/h9H,2-5H2,1H3 |
| InChIKey | MACNVPBGMHPCML-UHFFFAOYSA-N |
| Mol Weight | 128.17 g/mol |
| Molecular Formula | C7H12O2 |
| Exact Mass | 128.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AG9m8zoOXzl |
|---|---|
| Name | Cyclohexanone, 4-hydroxy-4-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.083729624 u |
| Formula | C7H12O2 |
| InChI | InChI=1S/C7H12O2/c1-7(9)4-2-6(8)3-5-7/h9H,2-5H2,1H3 |
| InChIKey | MACNVPBGMHPCML-UHFFFAOYSA-N |
| SMILES | CC1(O)CCC(CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974653 |