| SpectraBase Compound ID | Cpodwr7sPDk |
|---|---|
| InChI | InChI=1S/C8H15BrO2/c1-3-7(9)5-6-8(10)11-4-2/h7H,3-6H2,1-2H3 |
| InChIKey | IOGMSMCKZKGXMW-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 | 1AXrsw4Zpn6 |
|---|---|
| Name | Ethyl 4-bromohexanoate |
| 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/c1-3-7(9)5-6-8(10)11-4-2/h7H,3-6H2,1-2H3 |
| InChIKey | IOGMSMCKZKGXMW-UHFFFAOYSA-N |
| Molecular Weight | 223.110 g/mol |
| SMILES | C(=O)(CCC(Br)CC)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985631 |