| SpectraBase Compound ID | ndfCf3z1BK |
|---|---|
| InChI | InChI=1S/C11H14BrN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-3,8-9,13H,4-7H2 |
| InChIKey | LWJZRMBBOWCPMO-UHFFFAOYSA-N |
| Mol Weight | 240.14 g/mol |
| Molecular Formula | C11H14BrN |
| Exact Mass | 239.030962 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HRUzPDpcXJG |
|---|---|
| Name | 4-(3-Bromophenyl)piperidine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.030962455 u |
| Formula | C11H14BrN |
| InChI | InChI=1S/C11H14BrN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-3,8-9,13H,4-7H2 |
| InChIKey | LWJZRMBBOWCPMO-UHFFFAOYSA-N |
| Molecular Weight | 240.144 g/mol |
| SMILES | C1(Br)=CC(=CC=C1)C1CCNCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926645 |