| SpectraBase Compound ID | JQfUDTa1SpV |
|---|---|
| InChI | InChI=1S/C11H22O2/c1-7-11(5,6)9(12)13-8-10(2,3)4/h7-8H2,1-6H3 |
| InChIKey | FHLKNFHDRFWHPV-UHFFFAOYSA-N |
| Mol Weight | 186.29 g/mol |
| Molecular Formula | C11H22O2 |
| Exact Mass | 186.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IN1sLXpi9aS |
|---|---|
| Name | 2,2-Dimethylbutanoic acid 2,2-dimethylpropyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.161979946 u |
| Formula | C11H22O2 |
| InChI | InChI=1S/C11H22O2/c1-7-11(5,6)9(12)13-8-10(2,3)4/h7-8H2,1-6H3 |
| InChIKey | FHLKNFHDRFWHPV-UHFFFAOYSA-N |
| Molecular Weight | 186.295 g/mol |
| SMILES | C(C(CC)(C)C)(OCC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.990717 |