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2β-tert-Butyl-2,4β-dimethyl-1,3-dithiolane(50363-55-8) 1H NMR
Product Name2β-tert-Butyl-2,4β-dimethyl-1,3-dithiolane
CAS50363-55-8
Molecular FormulaC9H18S2
Molecular Weight190.37
InChIInChI=1/C9H18S2/c1-7-6-10-9(5,11-7)8(2,3)4/h7H,6H2,1-5H3/t7-,9-/s3
InChIKey LRPKRYBLHBJLDS-CDCIZWDZNA-N
SmilesS1C[C@@H](C)S[C@@]1(C(C)(C)C)C |&1:2,5,r|
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Parameter ppm Hz
D(A) 3.802 D(B) 3.210 D(C) 2.842 D(D) 1.385 J(A,B) 4.60 J(A,C) 8.10 J(A,D) 6.45 J(B,C) -11.36 J(B,D) 0.0 J(C,D) 0.0 D(E) 1.793 D(F) 1.150 J(E,F) 0.0 KESKINEN,R. ET AL. J.CHEM.SOC.,PERKIN TRANS.2 1973, 1376Spectral Code: 1H NMR : parameter in CCl4