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2,3,6-TRIBROMO-4,5-DIHYDROXYBENYL_METHLSULFONE
SpectraBase Compound ID 8UbO9DTp2PX
InChI InChI=1S/C8H7Br3O4S/c1-16(14,15)2-3-4(9)6(11)8(13)7(12)5(3)10/h12-13H,2H2,1H3
InChIKey UQYHDNQXPJKICE-UHFFFAOYSA-N
Mol Weight 438.91 g/mol
Molecular Formula C8H7Br3O4S
Exact Mass 435.761519 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 54u5VHjXYcm
Name 2,3,6-TRIBROMO-4,5-DIHYDROXYBENYL_METHLSULFONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H7Br3O4S
InChI InChI=1S/C8H7Br3O4S/c1-16(14,15)2-3-4(9)6(11)8(13)7(12)5(3)10/h12-13H,2H2,1H3
InChIKey UQYHDNQXPJKICE-UHFFFAOYSA-N
Literature Reference Author X.J.DUAN,X.M.LI,B.G.WANG
Literature Reference Citation J.NAT.PROD.,70,1210(2007)
Literature Reference DOI 10.1021/np070061b
Molecular Weight 438.913 g/mol
Sample ID 30673
Solvent ACETONE-D6