2α,4α-Dimethyl-1,3-dithiolane
Product Name
2α,4α-Dimethyl-1,3-dithiolane
CAS50363-44-5
MFC5H10S2
MW134.26
InChIInChI=1/C5H10S2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/s3
InChIKeyFSCICYWMDXUMTJ-UQLWSCPVNA-N
SmilesS1C[C@@H](C)S[C@H]1C |&1:2,5,r|
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Parameter ppm Hz
D(A) 3.748
D(B) 3.285
D(C) 2.907
D(D) 1.430
J(A,B) 4.91
J(A,C) 7.25
J(A,D) 6.54
J(B,C) -11.26
J(B,D) 0.0
J(C,D) 0.0
D(E) 4.558
D(F) 1.602
J(E,F) 6.60
KESKINEN,R. ET AL. J.CHEM.SOC.,PERKIN TRANS.2 1973, 1376
Spectral Code: 1H NMR : parameter in CCl4