2α-Ethyl-2,4α-dimethyl-1,3-dithiolane(50363-53-6) ¹H NMR

Product Name2α-Ethyl-2,4α-dimethyl-1,3-dithiolane

CAS 50363-53-6

Molecular FormulaC7H14S2

Molecular Weight162.32

InChIInChI=1/C7H14S2/c1-4-7(3)8-5-6(2)9-7/h6H,4-5H2,1-3H3/t6-,7-/s3

InChIKey YGYQOJWZAOSMQF-QHDQTYHDNA-N

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

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¹HNMR

    Parameter     ppm  Hz

      D(A)         3.868
      D(B)         3.247
      D(C)         2.912
      D(D)         1.403
       J(A,B)          4.89
       J(A,C)          7.79
       J(A,D)          6.42
       J(B,C)        -11.53
       J(B,D)          0.0
       J(C,D)          0.0
     
      D(E)         1.685
      D(F)         1.922
      D(G)         1.070
       J(E,F)          0.0
       J(E,G)          0.0
       J(F,G)          7.50
     
     KESKINEN,R. ET AL. J.CHEM.SOC.,PERKIN TRANS. 2 1973, 1376

Spectral Code: 1H NMR : parameter in CCl4

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2α-Ethyl-2,4α-dimethyl-1,3-dithiolane(50363-53-6) 1H NMR

2α-Ethyl-2,4α-dimethyl-1,3-dithiolane(50363-53-6) ¹H NMR