| SpectraBase Compound ID | 9AZPYSAnUvV |
|---|---|
| InChI | InChI=1S/C9H15FO3/c1-5-13-8(12)6(10)7(11)9(2,3)4/h6H,5H2,1-4H3 |
| InChIKey | HLQMJVMMMPTQEG-UHFFFAOYSA-N |
| Mol Weight | 190.21 g/mol |
| Molecular Formula | C9H15FO3 |
| Exact Mass | 190.100523 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6oIZJAki7zi |
|---|---|
| Name | Ethyl-2-fluoro-3-oxo-3-tert.-butylpropanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.100522503 u |
| Formula | C9H15FO3 |
| InChI | InChI=1S/C9H15FO3/c1-5-13-8(12)6(10)7(11)9(2,3)4/h6H,5H2,1-4H3 |
| InChIKey | HLQMJVMMMPTQEG-UHFFFAOYSA-N |
| Molecular Weight | 190.214 g/mol |
| SMILES | C(=O)(C(F)C(=O)C(C)(C)C)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.895674 |