SpectraBase Compound ID | 1MxGbZoMqBE |
---|---|
InChI | InChI=1S/C12H6Cl2S/c13-7-1-3-9-10-4-2-8(14)6-12(10)15-11(9)5-7/h1-6H |
InChIKey | XTWQFUXOEHUNBU-UHFFFAOYSA-N |
Mol Weight | 253.15 g/mol |
Molecular Formula | C12H6Cl2S |
Exact Mass | 251.956727 g/mol |
Title | Journal or Book | Year |
---|---|---|
NMR spectroscopy in environmental chemistry:1H and13C NMR chemical shift assignments of chlorinated dibenzothiophenes based on two-dimensional NMR techniques andab initio MO and DFT/GIAO calculations | Magnetic Resonance in Chemistry | 1999 |
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