| SpectraBase Compound ID | 4SaAa7CZQLI |
|---|---|
| InChI | InChI=1S/C13H22O3/c1-2-3-4-5-6-7-9-12(15)13(16)10-8-11-14/h11H,2-10H2,1H3 |
| InChIKey | HOVXZYRMWMDQQW-UHFFFAOYSA-N |
| Mol Weight | 226.32 g/mol |
| Molecular Formula | C13H22O3 |
| Exact Mass | 226.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I56cQCQAWqO |
|---|---|
| Name | 4,5-Dioxotridecanal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.156894565 u |
| Formula | C13H22O3 |
| InChI | InChI=1S/C13H22O3/c1-2-3-4-5-6-7-9-12(15)13(16)10-8-11-14/h11H,2-10H2,1H3 |
| InChIKey | HOVXZYRMWMDQQW-UHFFFAOYSA-N |
| Molecular Weight | 226.316 g/mol |
| SMILES | C(CCC(C(CCCCCCCC)=O)=O)=O |