| SpectraBase Compound ID | 9j8yLfN4KZQ |
|---|---|
| InChI | InChI=1S/C11H21BrO2/c1-2-14-11(13)9-7-5-3-4-6-8-10-12/h2-10H2,1H3 |
| InChIKey | KXZBPLOPBKIUTC-UHFFFAOYSA-N |
| Mol Weight | 265.19 g/mol |
| Molecular Formula | C11H21BrO2 |
| Exact Mass | 264.072493 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H2uJnx4nmp8 |
|---|---|
| Name | Nonanoic acid, 9-bromo-, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.072492914 u |
| Formula | C11H21BrO2 |
| InChI | InChI=1S/C11H21BrO2/c1-2-14-11(13)9-7-5-3-4-6-8-10-12/h2-10H2,1H3 |
| InChIKey | KXZBPLOPBKIUTC-UHFFFAOYSA-N |
| SMILES | C(CCBr)CCCCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982825 |