| SpectraBase Compound ID | 5LJETZEp3f5 |
|---|---|
| InChI | InChI=1S/C8H15BrO2/c1-4-6-8(3,9)7(10)11-5-2/h4-6H2,1-3H3 |
| InChIKey | HRISDVQCXAJSRW-UHFFFAOYSA-N |
| Mol Weight | 223.11 g/mol |
| Molecular Formula | C8H15BrO2 |
| Exact Mass | 222.025543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8bPFwnMrLu7 |
|---|---|
| Name | Ethyl 2-bromo-2-methylpentanoate |
| 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/c1-4-6-8(3,9)7(10)11-5-2/h4-6H2,1-3H3 |
| InChIKey | HRISDVQCXAJSRW-UHFFFAOYSA-N |
| Molecular Weight | 223.110 g/mol |
| SMILES | CCCC(Br)(C)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940784 |