| SpectraBase Compound ID | 4XfQuCZ1h22 |
|---|---|
| InChI | InChI=1S/C11H19BrO2/c12-9-5-4-8-11(13)14-10-6-2-1-3-7-10/h10H,1-9H2 |
| InChIKey | ADMMCXQWDYYTHB-UHFFFAOYSA-N |
| Mol Weight | 263.17 g/mol |
| Molecular Formula | C11H19BrO2 |
| Exact Mass | 262.056843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K8A55R9sRem |
|---|---|
| Name | 5-Bromopentanoic acid, cyclohexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.056842850 u |
| Formula | C11H19BrO2 |
| InChI | InChI=1S/C11H19BrO2/c12-9-5-4-8-11(13)14-10-6-2-1-3-7-10/h10H,1-9H2 |
| InChIKey | ADMMCXQWDYYTHB-UHFFFAOYSA-N |
| Molecular Weight | 263.175 g/mol |
| SMILES | C1(OC(CCCCBr)=O)CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975748 |