| SpectraBase Compound ID | FdAi2u5ex7v |
|---|---|
| InChI | InChI=1S/C12H20O5/c1-16-11(14)7-5-3-4-6-10(13)8-9-12(15)17-2/h3-9H2,1-2H3 |
| InChIKey | PZCRUHQBEIJNAT-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 | FdTu9C4EWII |
|---|---|
| Name | 3-oxo-1,8-Octanedicarboxylic acid, dimethyl 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/c1-16-11(14)7-5-3-4-6-10(13)8-9-12(15)17-2/h3-9H2,1-2H3 |
| InChIKey | PZCRUHQBEIJNAT-UHFFFAOYSA-N |
| Molecular Weight | 244.287 g/mol |
| SMILES | C(OC)(CCC(CCCCCC(OC)=O)=O)=O |