| SpectraBase Compound ID | ImO8nNXzHjV |
|---|---|
| InChI | InChI=1S/C8H14O2/c1-3-5-6-8(10)7(9)4-2/h3-6H2,1-2H3 |
| InChIKey | REBAXRATBNTKPT-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 | JunA11vAFjm |
|---|---|
| Name | Octane-3,4-dione |
| 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/c1-3-5-6-8(10)7(9)4-2/h3-6H2,1-2H3 |
| InChIKey | REBAXRATBNTKPT-UHFFFAOYSA-N |
| Molecular Weight | 142.198 g/mol |
| SMILES | C(C(=O)CCCC)(=O)CC |