| SpectraBase Compound ID | GYKIPHe2V8Q |
|---|---|
| InChI | InChI=1S/C6H11BrO/c1-5(7)3-4-6(2)8/h5H,3-4H2,1-2H3 |
| InChIKey | JBQZIGMJWKOOBG-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 | 1NooJI5r1L2 |
|---|---|
| Name | 2-Hexanone, 5-bromo- |
| 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/c1-5(7)3-4-6(2)8/h5H,3-4H2,1-2H3 |
| InChIKey | JBQZIGMJWKOOBG-UHFFFAOYSA-N |
| Molecular Weight | 179.057 g/mol |
| SMILES | C(=O)(CCC(Br)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91841 |