| SpectraBase Compound ID | 8Ry2lPa3rhY |
|---|---|
| InChI | InChI=1S/C14H18BrNO/c1-11(16-9-3-2-4-10-16)14(17)12-5-7-13(15)8-6-12/h5-8,11H,2-4,9-10H2,1H3 |
| InChIKey | JRBCEBJBFYKVNF-UHFFFAOYSA-N |
| Mol Weight | 296.21 g/mol |
| Molecular Formula | C14H18BrNO |
| Exact Mass | 295.057177 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2omG1qq8sLo |
|---|---|
| Name | 4'-Bromo-2-piperidinopropiophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.057177203 u |
| Formula | C14H18BrNO |
| InChI | InChI=1S/C14H18BrNO/c1-11(16-9-3-2-4-10-16)14(17)12-5-7-13(15)8-6-12/h5-8,11H,2-4,9-10H2,1H3 |
| InChIKey | JRBCEBJBFYKVNF-UHFFFAOYSA-N |
| SMILES | C(N1CCCCC1)(C(C=1C=CC(=CC1)Br)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935623 |