| SpectraBase Compound ID | 9xdbuWwbZ0p |
|---|---|
| InChI | InChI=1S/C12H7Cl2NO5S/c13-9-3-1-7(5-10(9)14)21(19,20)8-2-4-12(16)11(6-8)15(17)18/h1-6,16H |
| InChIKey | IYXLIVCMWBNOAC-UHFFFAOYSA-N |
| Mol Weight | 348.16 g/mol |
| Molecular Formula | C12H7Cl2NO5S |
| Exact Mass | 346.942199 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GDZ7ZB997hU |
|---|---|
| Name | 4-(3,4-Dichlorophenylsulfonyl)-2-nitrophenol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.942198898 u |
| Formula | C12H7Cl2NO5S |
| InChI | InChI=1S/C12H7Cl2NO5S/c13-9-3-1-7(5-10(9)14)21(19,20)8-2-4-12(16)11(6-8)15(17)18/h1-6,16H |
| InChIKey | IYXLIVCMWBNOAC-UHFFFAOYSA-N |
| Molecular Weight | 348.156 g/mol |
| SMILES | C=1(S(C=2C=C(Cl)C(=CC2)Cl)(=O)=O)C=C(N(=O)=O)C(=CC1)O |