| SpectraBase Compound ID | 9DLfZ9cJdWW |
|---|---|
| InChI | InChI=1S/C11H20O4/c1-8(2)6-14-10(12)5-11(13)15-7-9(3)4/h8-9H,5-7H2,1-4H3 |
| InChIKey | SWBJZPDGKVYSLT-UHFFFAOYSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C11H20O4 |
| Exact Mass | 216.136159 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3aVyhO9nyGH |
|---|---|
| Name | Propanedioic acid, bis(2-methylpropyl) ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.136159120 u |
| Formula | C11H20O4 |
| InChI | InChI=1S/C11H20O4/c1-8(2)6-14-10(12)5-11(13)15-7-9(3)4/h8-9H,5-7H2,1-4H3 |
| InChIKey | SWBJZPDGKVYSLT-UHFFFAOYSA-N |
| Molecular Weight | 216.277 g/mol |
| SMILES | C(OCC(C)C)(CC(OCC(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988414 |