SpectraBase Compound ID | BqggACkM8HX |
---|---|
InChI | InChI=1S/C12Cl8S/c13-3-1-2-4(14)6(16)8(18)10(20)12(2)21-11(1)9(19)7(17)5(3)15 |
InChIKey | HCPQUNQDITYIPS-UHFFFAOYSA-N |
Mol Weight | 459.8 g/mol |
Molecular Formula | C12Cl8S |
Exact Mass | 455.722893 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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