| SpectraBase Compound ID | 9F0RoUCdSZv |
|---|---|
| InChI | InChI=1S/C6H11BrO2/c1-3-9-6(8)4-5(2)7/h5H,3-4H2,1-2H3 |
| InChIKey | OPXQLUFLTHEZST-UHFFFAOYSA-N |
| Mol Weight | 195.06 g/mol |
| Molecular Formula | C6H11BrO2 |
| Exact Mass | 193.994243 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4wXzLnjQPtL |
|---|---|
| Name | 3-Bromobutyric acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.994242592 u |
| Formula | C6H11BrO2 |
| InChI | InChI=1S/C6H11BrO2/c1-3-9-6(8)4-5(2)7/h5H,3-4H2,1-2H3 |
| InChIKey | OPXQLUFLTHEZST-UHFFFAOYSA-N |
| Molecular Weight | 195.056 g/mol |
| SMILES | CC(CC(OCC)=O)Br |
| Spectrum/Structure Validation Score (Raman) | 0.972972 |