| SpectraBase Compound ID | 1EESrqm3XiI |
|---|---|
| InChI | InChI=1S/C14H27BrO2/c1-2-3-4-5-6-10-13-17-14(16)11-8-7-9-12-15/h2-13H2,1H3 |
| InChIKey | ZHZKLVMTMKUDJT-UHFFFAOYSA-N |
| Mol Weight | 307.27 g/mol |
| Molecular Formula | C14H27BrO2 |
| Exact Mass | 306.119443 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CdqN9xGkk1E |
|---|---|
| Name | 6-Bromohexanoic acid, octyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.119443107 u |
| Formula | C14H27BrO2 |
| InChI | InChI=1S/C14H27BrO2/c1-2-3-4-5-6-10-13-17-14(16)11-8-7-9-12-15/h2-13H2,1H3 |
| InChIKey | ZHZKLVMTMKUDJT-UHFFFAOYSA-N |
| Molecular Weight | 307.272 g/mol |
| SMILES | C(CCBr)CCC(OCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844998 |