2α,4α-Dimethyl-1,3-dithiolane(50363-44-5) ¹H NMR

Product Name2α,4α-Dimethyl-1,3-dithiolane

CAS 50363-44-5

Molecular FormulaC5H10S2

Molecular Weight134.26

InChIInChI=1/C5H10S2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/s3

InChIKey FSCICYWMDXUMTJ-UQLWSCPVNA-N

SmilesS1C[C@@H](C)S[C@H]1C |&1:2,5,r|

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¹HNMR

    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

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2α,4α-Dimethyl-1,3-dithiolane(50363-44-5) 1H NMR

2α,4α-Dimethyl-1,3-dithiolane(50363-44-5) ¹H NMR