| SpectraBase Compound ID | Lt8fkpE8Bou |
|---|---|
| InChI | InChI=1S/C9H18O3/c1-8(2,3)7(10)12-6-9(4,5)11/h11H,6H2,1-5H3 |
| InChIKey | GEHNHFWMLPEVAG-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C9H18O3 |
| Exact Mass | 174.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KoF8Km3Jrc9 |
|---|---|
| Name | (2-Methyl-2-oxidanyl-propyl) 2,2-dimethylpropanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.125594437 u |
| Formula | C9H18O3 |
| InChI | InChI=1S/C9H18O3/c1-8(2,3)7(10)12-6-9(4,5)11/h11H,6H2,1-5H3 |
| InChIKey | GEHNHFWMLPEVAG-UHFFFAOYSA-N |
| Molecular Weight | 174.240 g/mol |
| SMILES | C(C(C)(C)C)(=O)OCC(C)(C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980743 |