| SpectraBase Compound ID | GRQy3TKxKHG |
|---|---|
| InChI | InChI=1S/C8H14O2/c1-8(2,3)7(10)5-4-6-9/h6H,4-5H2,1-3H3 |
| InChIKey | CAXYFNXJIXJIGB-UHFFFAOYSA-N |
| Mol Weight | 142.2 g/mol |
| Molecular Formula | C8H14O2 |
| Exact Mass | 142.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9wj4K2G9cX4 |
|---|---|
| Name | 5,5-Dimethyl-4-oxohexanal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.099379689 u |
| Formula | C8H14O2 |
| InChI | InChI=1S/C8H14O2/c1-8(2,3)7(10)5-4-6-9/h6H,4-5H2,1-3H3 |
| InChIKey | CAXYFNXJIXJIGB-UHFFFAOYSA-N |
| Molecular Weight | 142.198 g/mol |
| SMILES | C(C(=O)CCC=O)(C)(C)C |