| SpectraBase Compound ID | B7DDc0ORyrt |
|---|---|
| InChI | InChI=1S/C7H5Cl2NO2/c8-7(9)5-1-3-6(4-2-5)10(11)12/h1-4,7H |
| InChIKey | KWWRZTBCOVYCIU-UHFFFAOYSA-N |
| Mol Weight | 206.03 g/mol |
| Molecular Formula | C7H5Cl2NO2 |
| Exact Mass | 204.969734 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | kHwHIDwivl |
|---|---|
| Name | Benzene, 1-(dichloromethyl)-4-nitro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.969733803 u |
| Formula | C7H5Cl2NO2 |
| InChI | InChI=1S/C7H5Cl2NO2/c8-7(9)5-1-3-6(4-2-5)10(11)12/h1-4,7H |
| InChIKey | KWWRZTBCOVYCIU-UHFFFAOYSA-N |
| Molecular Weight | 206.028 g/mol |
| SMILES | C1=C(C=CC(=C1)N(=O)=O)C(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970099 |