| SpectraBase Compound ID | a1rdZ0lVMh |
|---|---|
| InChI | InChI=1S/C8H5BrClN/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2 |
| InChIKey | QPUYVYUBRXYIII-UHFFFAOYSA-N |
| Mol Weight | 230.49 g/mol |
| Molecular Formula | C8H5BrClN |
| Exact Mass | 228.92939 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ga8kd2rTDlM |
|---|---|
| Name | (4-Bromo-3-chlorophenyl)acetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.929389865 u |
| Formula | C8H5BrClN |
| InChI | InChI=1S/C8H5BrClN/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2 |
| InChIKey | QPUYVYUBRXYIII-UHFFFAOYSA-N |
| Molecular Weight | 230.492 g/mol |
| SMILES | C1(Br)=C(C=C(C=C1)CC#N)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.863157 |