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1-Chloro-1-[(2H3)methyl](2,2,5,5-2H4)cyclopentane(53355-41-2) 1H NMR
Product Name1-Chloro-1-[(2H3)methyl](2,2,5,5-2H4)cyclopentane
CAS53355-41-2
Molecular FormulaC6H4ClD7
Molecular Weight125.647672446
InChIInChI=1S/C6H11Cl/c1-6(7)4-2-3-5-6/h2-5H2,1H3/i1D3,4D2,5D2
InChIKey XDULUGNXCNQBNS-RDEKYTKOSA-N
SmilesC1([2H])([2H])CCC([2H])([2H])C1(Cl)C([2H])([2H])[2H]
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Parameter ppm Hz
D(A) *1 1.936 D(B) *1 1.718 J(A,A') 9.18 J(A,B) -13.06 J(A,B') 5.63 J(A',B) 5.63 J(A',B') -13.06 J(B,B') 10.27 LIPNICK,R.L. J.MOL.STRUCT. 21, 423 (1974)Spectral Code: 1H NMR : parameter in CDCl3