| SpectraBase Compound ID | BJi3C4kV5r6 |
|---|---|
| InChI | InChI=1S/C6H9Br/c1-2-3-4-5-6-7/h4-6H2,1H3 |
| InChIKey | SRGQSRAWFLVYQN-UHFFFAOYSA-N |
| Mol Weight | 161.04 g/mol |
| Molecular Formula | C6H9Br |
| Exact Mass | 159.988763 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1AhRgfrD8wZ |
|---|---|
| Name | 2-Hexyne, 6-bromo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.988763290 u |
| Formula | C6H9Br |
| InChI | InChI=1S/C6H9Br/c1-2-3-4-5-6-7/h4-6H2,1H3 |
| InChIKey | SRGQSRAWFLVYQN-UHFFFAOYSA-N |
| Molecular Weight | 161.042 g/mol |
| SMILES | C(CC#CC)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947814 |