| SpectraBase Compound ID | IrCcLHyvd0a |
|---|---|
| InChI | InChI=1S/C12H21BrO2/c13-10-6-2-5-9-12(14)15-11-7-3-1-4-8-11/h11H,1-10H2 |
| InChIKey | WRLBUVVNQBAHPX-UHFFFAOYSA-N |
| Mol Weight | 277.2 g/mol |
| Molecular Formula | C12H21BrO2 |
| Exact Mass | 276.072493 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4ycpA7vh0yn |
|---|---|
| Name | 6-Bromohexanoic acid, cyclohexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.072492914 u |
| Formula | C12H21BrO2 |
| InChI | InChI=1S/C12H21BrO2/c13-10-6-2-5-9-12(14)15-11-7-3-1-4-8-11/h11H,1-10H2 |
| InChIKey | WRLBUVVNQBAHPX-UHFFFAOYSA-N |
| SMILES | C1(CCCCC1)OC(CCCCCBr)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958687 |