| SpectraBase Compound ID | KdkS5RuME3D |
|---|---|
| InChI | InChI=1S/C7H13BrO2/c1-3-10-7(9)4-6(2)5-8/h6H,3-5H2,1-2H3/t6-/m1/s1 |
| InChIKey | VUAMJAQNWQKOTC-ZCFIWIBFSA-N |
| Mol Weight | 209.08 g/mol |
| Molecular Formula | C7H13BrO2 |
| Exact Mass | 208.009893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EEveOXW5Y23 |
|---|---|
| Name | Ethyl (R)-(+)-4-bromo-3-methylbutanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.009892657 u |
| Formula | C7H13BrO2 |
| InChI | InChI=1S/C7H13BrO2/c1-3-10-7(9)4-6(2)5-8/h6H,3-5H2,1-2H3/t6-/m1/s1 |
| InChIKey | VUAMJAQNWQKOTC-ZCFIWIBFSA-N |
| Molecular Weight | 209.083 g/mol |
| SMILES | C(Br)[C@](C)(CC(OCC)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968051 |