| SpectraBase Compound ID | 7dnYOsgw2Pv |
|---|---|
| InChI | InChI=1S/C6H11BrO/c1-6(2,3)5(7)4-8/h4-5H,1-3H3 |
| InChIKey | QLLDPMNJZCQKSS-UHFFFAOYSA-N |
| Mol Weight | 179.06 g/mol |
| Molecular Formula | C6H11BrO |
| Exact Mass | 177.999328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 38e45AtJKez |
|---|---|
| Name | 2-Bromo-3,3-dimethylbutanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.999327973 u |
| Formula | C6H11BrO |
| InChI | InChI=1S/C6H11BrO/c1-6(2,3)5(7)4-8/h4-5H,1-3H3 |
| InChIKey | QLLDPMNJZCQKSS-UHFFFAOYSA-N |
| Molecular Weight | 179.057 g/mol |
| SMILES | C(C(C(C)(C)C)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.847812 |