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2-Chloro-5-methyl-1,3,2-dioxarsenane(60507-04-2) 1H NMR
Product Name2-Chloro-5-methyl-1,3,2-dioxarsenane
CAS60507-04-2
Molecular FormulaC4H8AsClO2
Molecular Weight198.48
InChIInChI=1S/C4H8AsClO2/c1-4-2-7-5(6)8-3-4/h4H,2-3H2,1H3
InChIKey QPQPBUOZHOXORJ-UHFFFAOYSA-N
Smiles[As]1(OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])O1)Cl
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Parameter ppm Hz
D(A) 4.134 D(B) 3.961 D(C) 2.346 D(D) 0.756 J(A,A') 0.23 J(A,B) -11.69 J(A,B') -0.33 J(A,C) 11.17 J(A,D) 0. J(A',B) -0.33 J(A',B') -11.69 J(A',C) 11.17 J(A',D) 0. J(B,B') -0.37 J(B,C) 3.90 J(B,D) 0. J(B',C) 3.90 J(B',D) 0. J(C,D) 6.66 AKSNES,D.W. ET AL. ACTA CHEM.SCAND. A30, 327 (1976)Spectral Code: 1H NMR : parameter in CDCl3