| SpectraBase Compound ID | IXWboqMNqcz |
|---|---|
| InChI | InChI=1S/C12H7ClN2O4S/c13-8-1-4-10(5-2-8)20-12-6-3-9(14(16)17)7-11(12)15(18)19/h1-7H |
| InChIKey | JJOKSIVIQACHPZ-UHFFFAOYSA-N |
| Mol Weight | 310.71 g/mol |
| Molecular Formula | C12H7ClN2O4S |
| Exact Mass | 309.981506 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FQKOUOpCC8c |
|---|---|
| Name | 1-(4-Chlorophenylthio)-2,4-dinitrobenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.981505583 u |
| Formula | C12H7ClN2O4S |
| InChI | InChI=1S/C12H7ClN2O4S/c13-8-1-4-10(5-2-8)20-12-6-3-9(14(16)17)7-11(12)15(18)19/h1-7H |
| InChIKey | JJOKSIVIQACHPZ-UHFFFAOYSA-N |
| Molecular Weight | 310.711 g/mol |
| SMILES | C1(N(=O)=O)=CC(N(=O)=O)=CC=C1SC1=CC=C(C=C1)Cl |