| SpectraBase Compound ID | A3UwZhdc2df |
|---|---|
| InChI | InChI=1S/C8H7Cl2NO3/c9-3-4-14-8-2-1-6(11(12)13)5-7(8)10/h1-2,5H,3-4H2 |
| InChIKey | LQQFFPREUWITLA-UHFFFAOYSA-N |
| Mol Weight | 236.05 g/mol |
| Molecular Formula | C8H7Cl2NO3 |
| Exact Mass | 234.980298 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LhPqY00qC4m |
|---|---|
| Name | Benzene, 2-chloro-1-(2-chloroethoxy)-4-nitro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.980298486 u |
| Formula | C8H7Cl2NO3 |
| InChI | InChI=1S/C8H7Cl2NO3/c9-3-4-14-8-2-1-6(11(12)13)5-7(8)10/h1-2,5H,3-4H2 |
| InChIKey | LQQFFPREUWITLA-UHFFFAOYSA-N |
| Molecular Weight | 236.054 g/mol |
| SMILES | C1=CC(=C(C=C1[N+]([O-])=O)Cl)OCCCl |
| Spectrum/Structure Validation Score (Raman) | 0.980305 |