| SpectraBase Compound ID | 65zsh7ZxzQM |
|---|---|
| InChI | InChI=1S/C4H6BrN/c5-3-1-2-4-6/h1-3H2 |
| InChIKey | CQPGDDAKTTWVDD-UHFFFAOYSA-N |
| Mol Weight | 148.0 g/mol |
| Molecular Formula | C4H6BrN |
| Exact Mass | 146.968362 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CkVr0rVcPsQ |
|---|---|
| Name | 4-Bromobutyronitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.968362197 u |
| Formula | C4H6BrN |
| InChI | InChI=1S/C4H6BrN/c5-3-1-2-4-6/h1-3H2 |
| InChIKey | CQPGDDAKTTWVDD-UHFFFAOYSA-N |
| SMILES | C(Br)CCC#N |
| Spectrum/Structure Validation Score (Raman) | 0.973345 |