| SpectraBase Compound ID | 2VrgKdr3hnn |
|---|---|
| InChI | InChI=1S/C6H12BrN/c7-4-6-2-1-3-8-5-6/h6,8H,1-5H2 |
| InChIKey | MMGZHQGOTPGBQL-UHFFFAOYSA-N |
| Mol Weight | 178.07 g/mol |
| Molecular Formula | C6H12BrN |
| Exact Mass | 177.015312 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9AIKSofVG63 |
|---|---|
| Name | Piperidine, 3-(bromomethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.015312390 u |
| Formula | C6H12BrN |
| InChI | InChI=1S/C6H12BrN/c7-4-6-2-1-3-8-5-6/h6,8H,1-5H2 |
| InChIKey | MMGZHQGOTPGBQL-UHFFFAOYSA-N |
| Molecular Weight | 178.073 g/mol |
| SMILES | C1CC(CNC1)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928436 |