| SpectraBase Compound ID | I1fy7e193Ou |
|---|---|
| InChI | InChI=1S/C5H9BrO/c1-5(4-7)2-3-6/h4-5H,2-3H2,1H3 |
| InChIKey | HUEISMLONAXRSB-UHFFFAOYSA-N |
| Mol Weight | 165.03 g/mol |
| Molecular Formula | C5H9BrO |
| Exact Mass | 163.983678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CuJTRof6Kwy |
|---|---|
| Name | 4-Bromo-2-methylbutenal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 163.983677909 u |
| Formula | C5H9BrO |
| InChI | InChI=1S/C5H9BrO/c1-5(4-7)2-3-6/h4-5H,2-3H2,1H3 |
| InChIKey | HUEISMLONAXRSB-UHFFFAOYSA-N |
| Molecular Weight | 165.030 g/mol |
| SMILES | C(C(CCBr)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980297 |