2α-tert-Butyl-4β-methyl-1,3-dithiolane(50363-51-4) ¹H NMR

Product Name2α-tert-Butyl-4β-methyl-1,3-dithiolane

CAS 50363-51-4

Molecular FormulaC8H16S2

Molecular Weight176.34

InChIInChI=1/C8H16S2/c1-6-5-9-7(10-6)8(2,3)4/h6-7H,5H2,1-4H3/t6-,7-/s3

InChIKey SGGOCCZJPGODEE-QHDQTYHDNA-N

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

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¹HNMR

    Parameter     ppm  Hz

      D(A)         3.700
      D(B)         3.167
      D(C)         2.812
      D(D)         1.372
       J(A,B)          4.64
       J(A,C)          7.12
       J(A,D)          6.48
       J(B,C)        -11.21
       J(B,D)          0.0
       J(C,D)          0.0
     
      D(E)         4.352
      D(F)         1.033
       J(E,F)          0.0
     
     KESKINEN,R. ET AL. J.CHEM.SOC.,PERKIN TRANS.2 1973, 1376

Spectral Code: 1H NMR : parameter in CCl4

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2α-tert-Butyl-4β-methyl-1,3-dithiolane(50363-51-4) 1H NMR

2α-tert-Butyl-4β-methyl-1,3-dithiolane(50363-51-4) ¹H NMR