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3-Bromo-2-cyanopiperidine
SpectraBase Compound ID 4XKR8kqSMvN
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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IeR872uXIQT
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