SpectraBase Compound ID | 4XKR8kqSMvN |
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InChI | InChI=1S/C6H9BrN2/c7-5-2-1-3-9-6(5)4-8/h5-6,9H,1-3H2 |
InChIKey | GGCPSKVQASNNJI-UHFFFAOYSA-N |
Mol Weight | 189.06 g/mol |
Molecular Formula | C6H9BrN2 |
Exact Mass | 187.994911 g/mol |
SpectraBase Spectrum ID | IeR872uXIQT |
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Name | 3-Bromo-2-cyanopiperidine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 187.994911298 u |
Formula | C6H9BrN2 |
InChI | InChI=1S/C6H9BrN2/c7-5-2-1-3-9-6(5)4-8/h5-6,9H,1-3H2 |
InChIKey | GGCPSKVQASNNJI-UHFFFAOYSA-N |
Molecular Weight | 189.056 g/mol |
SMILES | C(#N)C1NCCCC1Br |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952197 |