![2-[(2-Bromanylcyclopenten-1-yl)methyl]cyclohexane-1,3-dione](/api/spectrum/LKHiqgRBj6k/structure.png?h=300&w=458 "2-[(2-Bromanylcyclopenten-1-yl)methyl]cyclohexane-1,3-dione")
| SpectraBase Compound ID | G9WRMaXifNt |
|---|---|
| InChI | InChI=1S/C12H15BrO2/c13-10-4-1-3-8(10)7-9-11(14)5-2-6-12(9)15/h9H,1-7H2 |
| InChIKey | OJKZNGJZQYLLHZ-UHFFFAOYSA-N |
| Mol Weight | 271.15 g/mol |
| Molecular Formula | C12H15BrO2 |
| Exact Mass | 270.025543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LKHiqgRBj6k |
|---|---|
| Name | 2-[(2-Bromanylcyclopenten-1-yl)methyl]cyclohexane-1,3-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.025542721 u |
| Formula | C12H15BrO2 |
| InChI | InChI=1S/C12H15BrO2/c13-10-4-1-3-8(10)7-9-11(14)5-2-6-12(9)15/h9H,1-7H2 |
| InChIKey | OJKZNGJZQYLLHZ-UHFFFAOYSA-N |
| SMILES | C1(CC2=C(Br)CCC2)C(=O)CCCC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.888022 |