| SpectraBase Compound ID | FZUbWaGIP7S |
|---|---|
| InChI | InChI=1S/C13H25BrO2/c1-3-5-8-12(4-2)11-16-13(15)9-6-7-10-14/h12H,3-11H2,1-2H3 |
| InChIKey | ZTUOAIXESQZDCJ-UHFFFAOYSA-N |
| Mol Weight | 293.25 g/mol |
| Molecular Formula | C13H25BrO2 |
| Exact Mass | 292.103793 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L1Ft7D2UoDd |
|---|---|
| Name | 5-Bromopentanoic acid, 2-ethylhexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.103793043 u |
| Formula | C13H25BrO2 |
| InChI | InChI=1S/C13H25BrO2/c1-3-5-8-12(4-2)11-16-13(15)9-6-7-10-14/h12H,3-11H2,1-2H3 |
| InChIKey | ZTUOAIXESQZDCJ-UHFFFAOYSA-N |
| SMILES | C(OC(CCCCBr)=O)C(CCCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981718 |