| SpectraBase Compound ID | 4SjTKg9qbsE |
|---|---|
| InChI | InChI=1S/C11H18O5/c1-3-15-10(13)7-5-9(12)6-8-11(14)16-4-2/h3-8H2,1-2H3 |
| InChIKey | ZGBUXZJMZBBISR-UHFFFAOYSA-N |
| Mol Weight | 230.26 g/mol |
| Molecular Formula | C11H18O5 |
| Exact Mass | 230.115424 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JlAycMi2fNF |
|---|---|
| Name | 4-Oxoheptanedioic acid, diethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.115423675 u |
| Formula | C11H18O5 |
| InChI | InChI=1S/C11H18O5/c1-3-15-10(13)7-5-9(12)6-8-11(14)16-4-2/h3-8H2,1-2H3 |
| InChIKey | ZGBUXZJMZBBISR-UHFFFAOYSA-N |
| Molecular Weight | 230.260 g/mol |
| SMILES | CCOC(CCC(CCC(OCC)=O)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.98874 |