| SpectraBase Compound ID | 2ZpAets1AnN |
|---|---|
| InChI | InChI=1S/C6H11BrO/c1-6(8)4-2-3-5-7/h2-5H2,1H3 |
| InChIKey | CZGOECYPTLSLNI-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 | 9TjyyO1Sbn9 |
|---|---|
| Name | 2-Hexanone, 6-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/c1-6(8)4-2-3-5-7/h2-5H2,1H3 |
| InChIKey | CZGOECYPTLSLNI-UHFFFAOYSA-N |
| Molecular Weight | 179.057 g/mol |
| SMILES | C(CCCBr)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972683 |