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3,7-DICHLORO-DIBENZOTHIOPHENE
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
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
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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