| SpectraBase Compound ID | HNmVQqFfz3p |
|---|---|
| InChI | InChI=1S/C13H22O5/c1-3-17-12(15)9-5-7-11(14)8-6-10-13(16)18-4-2/h3-10H2,1-2H3 |
| InChIKey | ZAUXPULMEVDAKS-UHFFFAOYSA-N |
| Mol Weight | 258.31 g/mol |
| Molecular Formula | C13H22O5 |
| Exact Mass | 258.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IDymrqprZc8 |
|---|---|
| Name | 5-Ketoazelaic acid diethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.146723803 u |
| Formula | C13H22O5 |
| InChI | InChI=1S/C13H22O5/c1-3-17-12(15)9-5-7-11(14)8-6-10-13(16)18-4-2/h3-10H2,1-2H3 |
| InChIKey | ZAUXPULMEVDAKS-UHFFFAOYSA-N |
| Molecular Weight | 258.314 g/mol |
| SMILES | C(=O)(OCC)CCCC(=O)CCCC(=O)OCC |