| SpectraBase Compound ID | 4w2w5D4SlET |
|---|---|
| InChI | InChI=1S/C11H18O5/c1-7(2)15-10(13)6-5-9(12)11(14)16-8(3)4/h7-8H,5-6H2,1-4H3 |
| InChIKey | HYVSVZYBKWNFEU-UHFFFAOYSA-N |
| Mol Weight | 230.26 g/mol |
| Molecular Formula | C11H18O5 |
| Exact Mass | 230.115424 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BTYkpRTy05d |
|---|---|
| Name | Diisopropyl 2-oxopentanedioate |
| 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/c1-7(2)15-10(13)6-5-9(12)11(14)16-8(3)4/h7-8H,5-6H2,1-4H3 |
| InChIKey | HYVSVZYBKWNFEU-UHFFFAOYSA-N |
| Molecular Weight | 230.260 g/mol |
| SMILES | C(C(=O)CCC(=O)OC(C)C)(OC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932174 |