| SpectraBase Compound ID | 6LWg4mM8zZ3 |
|---|---|
| InChI | InChI=1S/C8H15BrO2/c1-4-8(9,5-2)7(10)11-6-3/h4-6H2,1-3H3 |
| InChIKey | YIFZOOLBLJRSBG-UHFFFAOYSA-N |
| Mol Weight | 223.11 g/mol |
| Molecular Formula | C8H15BrO2 |
| Exact Mass | 222.025543 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1OST4SKGJSF |
|---|---|
| Name | 2-Bromo-2-ethylbutyric acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.025542721 u |
| Formula | C8H15BrO2 |
| InChI | InChI=1S/C8H15BrO2/c1-4-8(9,5-2)7(10)11-6-3/h4-6H2,1-3H3 |
| InChIKey | YIFZOOLBLJRSBG-UHFFFAOYSA-N |
| Molecular Weight | 223.110 g/mol |
| SMILES | CCC(C(OCC)=O)(CC)Br |
| Spectrum/Structure Validation Score (Raman) | 0.982619 |