| SpectraBase Compound ID | 24XgWrpvtkK |
|---|---|
| InChI | InChI=1S/C11H20O4/c1-6-14-9(12)11(4,5)10(13)15-7-8(2)3/h8H,6-7H2,1-5H3 |
| InChIKey | PDJZBTJFISLLLN-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 | KxIA7caZEdI |
|---|---|
| Name | Dimethylmalonic acid, ethyl isobutyl 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/c1-6-14-9(12)11(4,5)10(13)15-7-8(2)3/h8H,6-7H2,1-5H3 |
| InChIKey | PDJZBTJFISLLLN-UHFFFAOYSA-N |
| Molecular Weight | 216.277 g/mol |
| SMILES | CC(C)COC(=O)C(C)(C)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945939 |