| SpectraBase Compound ID | 4IafeIjDozP |
|---|---|
| InChI | InChI=1S/C8H15BrO2/c1-3-5-6-11-8(10)7(9)4-2/h7H,3-6H2,1-2H3 |
| InChIKey | DKZLMRKANVHJGG-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 | E8qxDmmPO3P |
|---|---|
| Name | Butanoic acid, 2-bromo-, butyl 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/c1-3-5-6-11-8(10)7(9)4-2/h7H,3-6H2,1-2H3 |
| InChIKey | DKZLMRKANVHJGG-UHFFFAOYSA-N |
| Molecular Weight | 223.110 g/mol |
| SMILES | CCC(C(OCCCC)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948236 |