| SpectraBase Compound ID | 9rcQZRw3hAu |
|---|---|
| InChI | InChI=1S/C7H14BrN/c1-9-4-2-7(6-8)3-5-9/h7H,2-6H2,1H3 |
| InChIKey | NLKNLIQTGLPTHN-UHFFFAOYSA-N |
| Mol Weight | 192.1 g/mol |
| Molecular Formula | C7H14BrN |
| Exact Mass | 191.030962 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FkRR1s24XNg |
|---|---|
| Name | 4-(Bromomethyl)-1-methylpiperidine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.030962455 u |
| Formula | C7H14BrN |
| InChI | InChI=1S/C7H14BrN/c1-9-4-2-7(6-8)3-5-9/h7H,2-6H2,1H3 |
| InChIKey | NLKNLIQTGLPTHN-UHFFFAOYSA-N |
| Molecular Weight | 192.100 g/mol |
| SMILES | C1(CCN(CC1)C)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96521 |