| SpectraBase Compound ID | Hi1XoDhDfwM |
|---|---|
| InChI | InChI=1S/C8H14O3/c1-6(9)4-8(2,3)5-7(10)11/h4-5H2,1-3H3,(H,10,11) |
| InChIKey | SLBXWQKHHZUDAY-UHFFFAOYSA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C8H14O3 |
| Exact Mass | 158.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gsf7TERG6ej |
|---|---|
| Name | Hexanoic acid, 3,3-dimethyl-5-oxo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.094294308 u |
| Formula | C8H14O3 |
| InChI | InChI=1S/C8H14O3/c1-6(9)4-8(2,3)5-7(10)11/h4-5H2,1-3H3,(H,10,11) |
| InChIKey | SLBXWQKHHZUDAY-UHFFFAOYSA-N |
| Molecular Weight | 158.197 g/mol |
| SMILES | C(=O)(CC(CC(=O)C)(C)C)O |