| SpectraBase Compound ID | BEhsRCATLbN |
|---|---|
| InChI | InChI=1S/C11H21BrO2/c1-8(6-7-9(2)12)10(13)14-11(3,4)5/h8-9H,6-7H2,1-5H3 |
| InChIKey | NWSKVNJUSKNBPJ-UHFFFAOYSA-N |
| Mol Weight | 265.19 g/mol |
| Molecular Formula | C11H21BrO2 |
| Exact Mass | 264.072493 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 57iyABd82CH |
|---|---|
| Name | Tert-butyl 5-bromo-2,5-dimethylpentanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.072492914 u |
| Formula | C11H21BrO2 |
| InChI | InChI=1S/C11H21BrO2/c1-8(6-7-9(2)12)10(13)14-11(3,4)5/h8-9H,6-7H2,1-5H3 |
| InChIKey | NWSKVNJUSKNBPJ-UHFFFAOYSA-N |
| SMILES | C(OC(C)(C)C)(=O)C(CCC(Br)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956933 |