| SpectraBase Compound ID | LEaw2WUWkq8 |
|---|---|
| InChI | InChI=1S/C2BrCl2N/c3-2(4,5)1-6 |
| InChIKey | XDJVVCPVQOCPJI-UHFFFAOYSA-N |
| Mol Weight | 188.84 g/mol |
| Molecular Formula | C2BrCl2N |
| Exact Mass | 186.859117 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4mfKjIsECMS |
|---|---|
| Name | Bromodichloroacetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.859117404 u |
| Formula | C2BrCl2N |
| InChI | InChI=1S/C2BrCl2N/c3-2(4,5)1-6 |
| InChIKey | XDJVVCPVQOCPJI-UHFFFAOYSA-N |
| SMILES | C(Cl)(Cl)(Br)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90767 |