2β-Ethyl-4β-methyl-1,3-dithiolane(50363-46-7) ¹H NMR

Product Name2β-Ethyl-4β-methyl-1,3-dithiolane

CAS 50363-46-7

Molecular FormulaC6H12S2

Molecular Weight148.29

InChIInChI=1/C6H12S2/c1-3-6-7-4-5(2)8-6/h5-6H,3-4H2,1-2H3/t5-,6+/s3

InChIKey PYBVIKJOGRMFFA-KIJMNMGRNA-N

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

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¹HNMR

    Parameter     ppm  Hz

      D(A)         3.732
      D(B)         3.132
      D(C)         2.830
      D(D)         1.405
       J(A,B)          4.94
       J(A,C)          7.32
       J(A,D)          6.56
       J(B,C)        -11.31
       J(B,D)          0.0
       J(C,D)          0.0
     
      D(E)         4.377
      D(F)         1.783
      D(G)         1.033
       J(E,F)          6.75
       J(E,G)          0.0
       J(F,G)          6.69
     
     KESKINEN,R. ET AL. J.CHEM.SOC.,PERKIN TRANS. 2 1973, 1376

Spectral Code: 1H NMR : parameter in CCl4

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2β-Ethyl-4β-methyl-1,3-dithiolane(50363-46-7) 1H NMR

2β-Ethyl-4β-methyl-1,3-dithiolane(50363-46-7) ¹H NMR