| SpectraBase Compound ID | 92I6KJVC3G3 |
|---|---|
| InChI | InChI=1S/C11H11BrClNO/c12-9-7-8(13)4-5-10(9)14-6-2-1-3-11(14)15/h4-5,7H,1-3,6H2 |
| InChIKey | WRIPMODGDVAJTK-UHFFFAOYSA-N |
| Mol Weight | 288.57 g/mol |
| Molecular Formula | C11H11BrClNO |
| Exact Mass | 286.971255 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8cmwQ3OKAxk |
|---|---|
| Name | 1-(2-Bromo-4-chlorophenyl)piperidin-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.971254677 u |
| Formula | C11H11BrClNO |
| InChI | InChI=1S/C11H11BrClNO/c12-9-7-8(13)4-5-10(9)14-6-2-1-3-11(14)15/h4-5,7H,1-3,6H2 |
| InChIKey | WRIPMODGDVAJTK-UHFFFAOYSA-N |
| SMILES | C1(Br)=C(C=CC(=C1)Cl)N1CCCCC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921026 |