| SpectraBase Compound ID | ePosftNCOO |
|---|---|
| InChI | InChI=1S/C8H4BrNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H |
| InChIKey | IHDSSYQEYNYRBH-UHFFFAOYSA-N |
| Mol Weight | 210.03 g/mol |
| Molecular Formula | C8H4BrNO |
| Exact Mass | 208.947627 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CMGkZq2fFxb |
|---|---|
| Name | 2-(4-Bromophenyl)-2-keto-acetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.947626752 u |
| Formula | C8H4BrNO |
| InChI | InChI=1S/C8H4BrNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H |
| InChIKey | IHDSSYQEYNYRBH-UHFFFAOYSA-N |
| Molecular Weight | 210.030 g/mol |
| SMILES | C(=O)(C1=CC=C(C=C1)Br)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952926 |