| SpectraBase Compound ID | nWSzYeO3WT |
|---|---|
| InChI | InChI=1S/C7H14O2/c1-4-7(3,9)5-6(2)8/h9H,4-5H2,1-3H3 |
| InChIKey | PXXXJBOIZODWGE-UHFFFAOYSA-N |
| Mol Weight | 130.19 g/mol |
| Molecular Formula | C7H14O2 |
| Exact Mass | 130.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EbgqamBYJKM |
|---|---|
| Name | 4-Hydroxy-4-methyl-2-hexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.099379689 u |
| Formula | C7H14O2 |
| InChI | InChI=1S/C7H14O2/c1-4-7(3,9)5-6(2)8/h9H,4-5H2,1-3H3 |
| InChIKey | PXXXJBOIZODWGE-UHFFFAOYSA-N |
| Molecular Weight | 130.187 g/mol |
| SMILES | OC(CC)(C)CC(=O)C |