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6-(2,5-DIMETHYLPHENOXY)-2,10-DIBROMODIBENZO-[D,G]-[1,3,6,2]-DIOXATHIAPHOSPHOCIN-6-SULFIDE
SpectraBase Compound ID 7imZoCK0dcy
InChI InChI=1S/C20H15Br2O3PS2/c1-12-3-4-13(2)18(9-12)25-26(27)23-16-7-5-14(21)10-19(16)28-20-11-15(22)6-8-17(20)24-26/h3-11H,1-2H3
InChIKey CZJJHABESXJZPJ-UHFFFAOYSA-N
Mol Weight 558.24 g/mol
Molecular Formula C20H15Br2O3PS2
Exact Mass 555.8567 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cyy9j2IdXcB
Name 6-(2,5-DIMETHYLPHENOXY)-2,10-DIBROMODIBENZO-[D,G]-[1,3,6,2]-DIOXATHIAPHOSPHOCIN-6-SULFIDE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H15Br2O3PS2
InChI InChI=1S/C20H15Br2O3PS2/c1-12-3-4-13(2)18(9-12)25-26(27)23-16-7-5-14(21)10-19(16)28-20-11-15(22)6-8-17(20)24-26/h3-11H,1-2H3
InChIKey CZJJHABESXJZPJ-UHFFFAOYSA-N
Literature Reference Author M.F.S.BABU,M.A.KUMAR,K.SRINIVASULU,C.S.REDDY,M.R.KUMAR
Literature Reference Citation J.HETCYCL.CHEM.,43,453(2006)
Literature Reference DOI 10.1002/jhet.5570430229
Molecular Weight 558.239 g/mol
Sample ID 41709
Solvent CDCl3