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2β-Chloro-4β-methyl-1,3,2-dithiaphospholane(42307-26-6) 1H NMR
Product Name2β-Chloro-4β-methyl-1,3,2-dithiaphospholane
CAS42307-26-6
Molecular FormulaC3H6ClPS2
Molecular Weight172.64
InChIInChI=1S/C3H6ClPS2/c1-3-2-6-5(4)7-3/h3H,2H2,1H3/t3-,5+/m1/s1
InChIKey LFKALNJHILELAC-WUJLRWPWSA-N
SmilesS1C[C@@H](C)S[P@]1Cl
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Parameter ppm Hz
D(A) 3.28 D(B) *1 2.88 D(C) *1 2.71 D(D) 1.22 D(M) -18.608 J(A,B) 10.2 J(A,C) 4.55 J(A,D) 6.3 J(A,M) 0.59 J(B,C) -12.14 J(B,D) 0.0 J(B,M) 2.03 J(C,D) 0.0 J(C,M) 3.29 J(D,M) 0.0 REVEL,M. ET AL. COMPT.REND. 277C, 57 AND 531 (1973) P-31 REFERENCE : 85% H3PO4 EXTERNAL.Spectral Code: 1H NMR : parameter in benzene-d6