| SpectraBase Compound ID | 7HbkfK27CLP |
|---|---|
| InChI | InChI=1S/C7H7ClN2O2/c1-9-7-3-2-5(10(11)12)4-6(7)8/h2-4,9H,1H3 |
| InChIKey | XAAAOEAESNGEFK-UHFFFAOYSA-N |
| Mol Weight | 186.6 g/mol |
| Molecular Formula | C7H7ClN2O2 |
| Exact Mass | 186.019605 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8FDbkrCJSc5 |
|---|---|
| Name | 2-Chloro-N-methyl-4-nitroaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.019605171 u |
| Formula | C7H7ClN2O2 |
| InChI | InChI=1S/C7H7ClN2O2/c1-9-7-3-2-5(10(11)12)4-6(7)8/h2-4,9H,1H3 |
| InChIKey | XAAAOEAESNGEFK-UHFFFAOYSA-N |
| Molecular Weight | 186.598 g/mol |
| SMILES | CNC1=C(C=C(C=C1)N(=O)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947774 |