| SpectraBase Compound ID | Lc2CXd0pOOE |
|---|---|
| InChI | InChI=1S/C8H5Cl2NO2/c9-8(10)7(11(12)13)6-4-2-1-3-5-6/h1-5H |
| InChIKey | ZKSQUHMMCONIHK-UHFFFAOYSA-N |
| Mol Weight | 218.04 g/mol |
| Molecular Formula | C8H5Cl2NO2 |
| Exact Mass | 216.969734 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GCtauN94HOG |
|---|---|
| Name | (2,2-Dichloro-1-nitroethenyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.969733803 u |
| Formula | C8H5Cl2NO2 |
| InChI | InChI=1S/C8H5Cl2NO2/c9-8(10)7(11(12)13)6-4-2-1-3-5-6/h1-5H |
| InChIKey | ZKSQUHMMCONIHK-UHFFFAOYSA-N |
| SMILES | C(=C(Cl)Cl)(N(=O)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.830544 |