| SpectraBase Compound ID | 7bBDbZkgBWd |
|---|---|
| InChI | InChI=1S/C9H15BrO/c10-7-3-5-8-4-1-2-6-9(8)11/h8H,1-7H2 |
| InChIKey | OLMCYFADRPVNFB-UHFFFAOYSA-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 | KfEJduy2vkb |
|---|---|
| Name | 2-(3-Bromopropyl)cyclohexanone |
| 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/c10-7-3-5-8-4-1-2-6-9(8)11/h8H,1-7H2 |
| InChIKey | OLMCYFADRPVNFB-UHFFFAOYSA-N |
| Molecular Weight | 219.122 g/mol |
| SMILES | C(Br)CCC1C(=O)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903206 |