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ALPHA-SULFANYL-(2,4-DICHLOROBENZYL)-PHOSPHONIC_ACID
SpectraBase Compound ID CThdstXmBZO
InChI InChI=1S/C7H7Cl2O3PS/c8-4-1-2-5(6(9)3-4)7(14)13(10,11)12/h1-3,7,14H,(H2,10,11,12)
InChIKey WJVBVZOYOCLGPI-UHFFFAOYSA-N
Mol Weight 273.07 g/mol
Molecular Formula C7H7Cl2O3PS
Exact Mass 271.923058 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LC9O6JM9BmK
Name ALPHA-SULFANYL-(2,4-DICHLOROBENZYL)-PHOSPHONIC_ACID
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H5Cl2O3PS
InChI InChI=1S/C7H7Cl2O3PS/c8-4-1-2-5(6(9)3-4)7(14)13(10,11)12/h1-3,7,14H,(H2,10,11,12)
InChIKey WJVBVZOYOCLGPI-UHFFFAOYSA-N
Literature Reference Author P.LASSAUX,M.HAMEL,M.GULEA,H.DELBRUECK,P.S.MERCURI,L.HORSFALL ,D.DEHARENG,M.KUPPER
Literature Reference Citation J.MED.CHEM.,53,4862(2010)
Literature Reference DOI 10.1021/jm100213c
Solvent D2O:CD3OD=80:20
Source File Reference UWMZ40542