| SpectraBase Compound ID | 1M1ueinp3xe |
|---|---|
| InChI | InChI=1S/C15H29BrO2/c1-2-3-4-5-6-7-11-14-18-15(17)12-9-8-10-13-16/h2-14H2,1H3 |
| InChIKey | LRXNWSXAFRBCCK-UHFFFAOYSA-N |
| Mol Weight | 321.3 g/mol |
| Molecular Formula | C15H29BrO2 |
| Exact Mass | 320.135093 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Dh0B9x8I5JV |
|---|---|
| Name | 6-Bromohexanoic acid, nonyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.135093172 u |
| Formula | C15H29BrO2 |
| InChI | InChI=1S/C15H29BrO2/c1-2-3-4-5-6-7-11-14-18-15(17)12-9-8-10-13-16/h2-14H2,1H3 |
| InChIKey | LRXNWSXAFRBCCK-UHFFFAOYSA-N |
| Molecular Weight | 321.299 g/mol |
| SMILES | C(COC(=O)CCCCCBr)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919571 |