| SpectraBase Compound ID | 7lK3yOShUYy |
|---|---|
| InChI | InChI=1S/C4H6BrN/c1-4(5)2-3-6/h4H,2H2,1H3 |
| InChIKey | MBXSHBIQMDKTEW-UHFFFAOYSA-N |
| Mol Weight | 148.0 g/mol |
| Molecular Formula | C4H6BrN |
| Exact Mass | 146.968362 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BGdsZKM2eew |
|---|---|
| Name | 3-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/c1-4(5)2-3-6/h4H,2H2,1H3 |
| InChIKey | MBXSHBIQMDKTEW-UHFFFAOYSA-N |
| SMILES | CC(CC#N)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914125 |