| SpectraBase Compound ID | 5YnFsiUjAqM |
|---|---|
| InChI | InChI=1S/C6H9BrO3/c1-6(2,7)4(8)5(9)10-3/h1-3H3 |
| InChIKey | MUEMAHNEKMIHIF-UHFFFAOYSA-N |
| Mol Weight | 209.04 g/mol |
| Molecular Formula | C6H9BrO3 |
| Exact Mass | 207.973507 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9PUURjwE3aL |
|---|---|
| Name | Butanoic acid, 3-bromo-3-methyl-2-oxo-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.973507147 u |
| Formula | C6H9BrO3 |
| InChI | InChI=1S/C6H9BrO3/c1-6(2,7)4(8)5(9)10-3/h1-3H3 |
| InChIKey | MUEMAHNEKMIHIF-UHFFFAOYSA-N |
| Molecular Weight | 209.039 g/mol |
| SMILES | C(C(=O)OC)(C(Br)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972171 |