| SpectraBase Compound ID | 7ptBtK5cUt0 |
|---|---|
| InChI | InChI=1S/C6H9BrO/c1-3-5(7)6(8)4-2/h3H,4H2,1-2H3/b5-3- |
| InChIKey | CLMCVDJPNABWMJ-HYXAFXHYSA-N |
| Mol Weight | 177.04 g/mol |
| Molecular Formula | C6H9BrO |
| Exact Mass | 175.983678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FA00AhPBGUD |
|---|---|
| Name | 4-Bromohex-4-en-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.983677909 u |
| Formula | C6H9BrO |
| InChI | InChI=1S/C6H9BrO/c1-3-5(7)6(8)4-2/h3H,4H2,1-2H3/b5-3- |
| InChIKey | CLMCVDJPNABWMJ-HYXAFXHYSA-N |
| Molecular Weight | 177.041 g/mol |
| SMILES | CCC(\C(=C\C)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975692 |