| SpectraBase Compound ID | BY77kySY8ws |
|---|---|
| InChI | InChI=1S/C13H22O5/c1-3-5-9-17-12(15)8-7-11(14)13(16)18-10-6-4-2/h3-10H2,1-2H3 |
| InChIKey | SDYKGJKTLYBKEN-UHFFFAOYSA-N |
| Mol Weight | 258.31 g/mol |
| Molecular Formula | C13H22O5 |
| Exact Mass | 258.146724 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FEwdLysIrh6 |
|---|---|
| Name | 2-Ketoglutaric acid dibutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.146723803 u |
| Formula | C13H22O5 |
| InChI | InChI=1S/C13H22O5/c1-3-5-9-17-12(15)8-7-11(14)13(16)18-10-6-4-2/h3-10H2,1-2H3 |
| InChIKey | SDYKGJKTLYBKEN-UHFFFAOYSA-N |
| Molecular Weight | 258.314 g/mol |
| SMILES | C(C(=O)CCC(=O)OCCCC)(=O)OCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953964 |