| SpectraBase Compound ID | 2LW61y3ZDwi |
|---|---|
| InChI | InChI=1S/C10H17BrO2/c11-8-4-3-7-10(12)13-9-5-1-2-6-9/h9H,1-8H2 |
| InChIKey | JZQFXZCYHBABRI-UHFFFAOYSA-N |
| Mol Weight | 249.15 g/mol |
| Molecular Formula | C10H17BrO2 |
| Exact Mass | 248.041193 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ivfnxfovtax |
|---|---|
| Name | 5-Bromopentanoic acid, cyclopentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.041192785 u |
| Formula | C10H17BrO2 |
| InChI | InChI=1S/C10H17BrO2/c11-8-4-3-7-10(12)13-9-5-1-2-6-9/h9H,1-8H2 |
| InChIKey | JZQFXZCYHBABRI-UHFFFAOYSA-N |
| Molecular Weight | 249.148 g/mol |
| SMILES | C1(CCCC1)OC(CCCCBr)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9533 |