| SpectraBase Compound ID | 5f3PesP6VW2 |
|---|---|
| InChI | InChI=1S/C7H7ClN2O2/c1-9-6-4-5(8)2-3-7(6)10(11)12/h2-4,9H,1H3 |
| InChIKey | YWJPRGWHZDSXML-UHFFFAOYSA-N |
| Mol Weight | 186.6 g/mol |
| Molecular Formula | C7H7ClN2O2 |
| Exact Mass | 186.019605 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3bcmoeXU8SO |
|---|---|
| Name | 5-Chloro-N-methyl-2-nitroaniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.019605171 u |
| Formula | C7H7ClN2O2 |
| InChI | InChI=1S/C7H7ClN2O2/c1-9-6-4-5(8)2-3-7(6)10(11)12/h2-4,9H,1H3 |
| InChIKey | YWJPRGWHZDSXML-UHFFFAOYSA-N |
| Molecular Weight | 186.598 g/mol |
| SMILES | C1(Cl)=CC(=C(C=C1)N(=O)=O)NC |