| SpectraBase Compound ID | HBhAeSOIWTW |
|---|---|
| InChI | InChI=1S/C12H20O5/c1-4-7-9(12(15)17-6-3)10(13)8-11(14)16-5-2/h9H,4-8H2,1-3H3 |
| InChIKey | KFXAOUXMFBMGQN-UHFFFAOYSA-N |
| Mol Weight | 244.29 g/mol |
| Molecular Formula | C12H20O5 |
| Exact Mass | 244.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3fLG6D1rMtV |
|---|---|
| Name | 3-Keto-2-propyl-glutaric acid diethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.131073739 u |
| Formula | C12H20O5 |
| InChI | InChI=1S/C12H20O5/c1-4-7-9(12(15)17-6-3)10(13)8-11(14)16-5-2/h9H,4-8H2,1-3H3 |
| InChIKey | KFXAOUXMFBMGQN-UHFFFAOYSA-N |
| Molecular Weight | 244.287 g/mol |
| SMILES | C(C(C(=O)OCC)CCC)(CC(=O)OCC)=O |