| SpectraBase Compound ID | 6HNtCiIw0Pp |
|---|---|
| InChI | InChI=1S/C6H9BrO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3 |
| InChIKey | NGJKQTAWMMZMEL-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 | AWEmerg3HUD |
|---|---|
| Name | Ethyl alpha-bromoacetoacetate |
| 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/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3 |
| InChIKey | NGJKQTAWMMZMEL-UHFFFAOYSA-N |
| Molecular Weight | 209.039 g/mol |
| SMILES | C(C(C(=O)C)Br)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972422 |