| SpectraBase Compound ID | EcS8K2uLwJP |
|---|---|
| InChI | InChI=1S/C5H11BrO/c1-5(4-7)2-3-6/h5,7H,2-4H2,1H3 |
| InChIKey | SMOKYCWROQIMHW-UHFFFAOYSA-N |
| Mol Weight | 167.05 g/mol |
| Molecular Formula | C5H11BrO |
| Exact Mass | 165.999328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HUZ6LwHMK78 |
|---|---|
| Name | 4-Bromanyl-2-methyl-butan-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.999327973 u |
| Formula | C5H11BrO |
| InChI | InChI=1S/C5H11BrO/c1-5(4-7)2-3-6/h5,7H,2-4H2,1H3 |
| InChIKey | SMOKYCWROQIMHW-UHFFFAOYSA-N |
| Molecular Weight | 167.046 g/mol |
| SMILES | C(Br)CC(CO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.819195 |