| SpectraBase Compound ID | 2gK1FFqgqLT |
|---|---|
| InChI | InChI=1S/C9H15BrO/c10-8-6-4-2-1-3-5-7-9(8)11/h6,9,11H,1-5,7H2/b8-6+ |
| InChIKey | IALGWYLBKMRTIF-SOFGYWHQSA-N |
| Mol Weight | 219.12 g/mol |
| Molecular Formula | C9H15BrO |
| Exact Mass | 218.030628 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BWnIa2XWzbX |
|---|---|
| Name | 2-Bromocyclonon-2-enol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.030628102 u |
| Formula | C9H15BrO |
| InChI | InChI=1S/C9H15BrO/c10-8-6-4-2-1-3-5-7-9(8)11/h6,9,11H,1-5,7H2/b8-6+ |
| InChIKey | IALGWYLBKMRTIF-SOFGYWHQSA-N |
| Molecular Weight | 219.122 g/mol |
| SMILES | C1(\C(=C/CCCCCC1)Br)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.884226 |