![1-[(3-Bromophenyl)methyl]piperidine](/api/spectrum/7sqoS7Zbqc3/structure.png?h=300&w=458 "1-[(3-Bromophenyl)methyl]piperidine")
| SpectraBase Compound ID | HuTKnocGuDq |
|---|---|
| InChI | InChI=1S/C12H16BrN/c13-12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2 |
| InChIKey | HQVJFZUPPAXRCS-UHFFFAOYSA-N |
| Mol Weight | 254.17 g/mol |
| Molecular Formula | C12H16BrN |
| Exact Mass | 253.046613 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7sqoS7Zbqc3 |
|---|---|
| Name | 1-[(3-Bromophenyl)methyl]piperidine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.046612519 u |
| Formula | C12H16BrN |
| InChI | InChI=1S/C12H16BrN/c13-12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2 |
| InChIKey | HQVJFZUPPAXRCS-UHFFFAOYSA-N |
| Molecular Weight | 254.171 g/mol |
| SMILES | C1(Br)=CC(=CC=C1)CN1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909806 |