| SpectraBase Compound ID | 7hI4afChyPb |
|---|---|
| InChI | InChI=1S/C8H12O3/c1-3-7(10)5-8(11)4-6(2)9/h3-5H2,1-2H3 |
| InChIKey | KYWYXJJKXSANGZ-UHFFFAOYSA-N |
| Mol Weight | 156.18 g/mol |
| Molecular Formula | C8H12O3 |
| Exact Mass | 156.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AVFxS8RqpCC |
|---|---|
| Name | 2,4,6-Octanetrione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.078644243 u |
| Formula | C8H12O3 |
| InChI | InChI=1S/C8H12O3/c1-3-7(10)5-8(11)4-6(2)9/h3-5H2,1-2H3 |
| InChIKey | KYWYXJJKXSANGZ-UHFFFAOYSA-N |
| Molecular Weight | 156.181 g/mol |
| SMILES | C(CC(=O)C)(CC(=O)CC)=O |