| SpectraBase Compound ID | oOcRCcgWrM |
|---|---|
| InChI | InChI=1S/C9H5BrN2/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-4,8H |
| InChIKey | ZOZOWXUZIYDYRQ-UHFFFAOYSA-N |
| Mol Weight | 221.06 g/mol |
| Molecular Formula | C9H5BrN2 |
| Exact Mass | 219.963611 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2ahrGkgfyVM |
|---|---|
| Name | 2-(4-Bromophenyl)malononitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.963611169 u |
| Formula | C9H5BrN2 |
| InChI | InChI=1S/C9H5BrN2/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-4,8H |
| InChIKey | ZOZOWXUZIYDYRQ-UHFFFAOYSA-N |
| SMILES | C(#N)C(C#N)C=1C=CC(=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.877147 |