| SpectraBase Compound ID | 3fo9a29Qi2R |
|---|---|
| InChI | InChI=1S/C7H8O2/c1-7(9)5-3-2-4-6-8/h2-6H,1H3/b4-2-,5-3- |
| InChIKey | SAOQMVOUXOKWJB-JVLMNHKTSA-N |
| Mol Weight | 124.14 g/mol |
| Molecular Formula | C7H8O2 |
| Exact Mass | 124.052429 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BPSEoGQDZPF |
|---|---|
| Name | (Z,Z)-1,6-Dioxohepta-2,4-diene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.052429496 u |
| Formula | C7H8O2 |
| InChI | InChI=1S/C7H8O2/c1-7(9)5-3-2-4-6-8/h2-6H,1H3/b4-2-,5-3- |
| InChIKey | SAOQMVOUXOKWJB-JVLMNHKTSA-N |
| Molecular Weight | 124.139 g/mol |
| SMILES | C(\C=C/C=C\C(=O)C)=O |