| SpectraBase Compound ID | LUmSl3wfCDC |
|---|---|
| InChI | InChI=1S/C7H2BrCl2N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H |
| InChIKey | NKWBLKGGKNHCSU-UHFFFAOYSA-N |
| Mol Weight | 250.91 g/mol |
| Molecular Formula | C7H2BrCl2N |
| Exact Mass | 248.874767 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IAbupvrc9Bk |
|---|---|
| Name | 4-Bromo-2,6-dichlorobenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.874767468 u |
| Formula | C7H2BrCl2N |
| InChI | InChI=1S/C7H2BrCl2N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H |
| InChIKey | NKWBLKGGKNHCSU-UHFFFAOYSA-N |
| Molecular Weight | 250.910 g/mol |
| SMILES | C1(Br)=CC(=C(C(=C1)Cl)C#N)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909583 |