15441-06-2

Dimethyl 3,3'-dithiobispropionate(15441-06-2) ¹³C NMR

Product NameDimethyl 3,3'-dithiobispropionate

CAS 15441-06-2

Molecular FormulaC8H14O4S2

Molecular Weight238.32

InChIInChI=1S/C8H14O4S2/c1-11-7(9)3-5-13-14-6-4-8(10)12-2/h3-6H2,1-2H3

InChIKey OSZKBWPMEPEYFU-UHFFFAOYSA-N

SmilesS(CCC(OC)=O)SCCC(OC)=O

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¹HNMR

¹³CNMR

IR1

Dimethyl 3,3'-dithiobispropionate(15441-06-2) <sup>13</sup>C NMR
Mass

MS-IW-7541          
dimethyl 3,3'-dithiodipropionate
C8H14O4S2           (Mass of molecular ion:    238)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0      23.5
      18.0       1.6
      26.0       2.9
      27.0      17.0
      28.0      13.0
      29.0       3.2
      31.0       4.2
      32.0       1.5
      41.0       6.4
      42.0       2.8
      43.0       6.5
      44.0       1.6
      45.0      30.2
      46.0       5.5
      47.0       4.9
      48.0       1.0
      55.0      89.6
      56.0       4.5
      57.0       3.3
      58.0      27.7
      59.0      87.1
      60.0      11.8
      61.0       7.2
      64.0       8.6
      65.0       1.0
      66.0       1.0
      72.0       1.1
      74.0       4.4
      76.0       2.2
      77.0      11.4
      78.0       1.0
      79.0       3.0
      85.0       3.4
      86.0       2.7
      87.0      64.4
      88.0      22.5
      89.0       9.0
      90.0       2.4
      91.0       4.7
      92.0       3.6
      93.0       2.0
      95.0       2.2
     101.0       2.2
     109.0       4.8
     117.0       2.7
     118.0     100.0
     119.0      47.0
     120.0      32.4
     121.0       8.6
     122.0       1.8
     151.0       6.5
     165.0       1.2
     173.0       4.4
     175.0      16.0
     176.0       1.3
     177.0       1.5
     179.0       2.1
     207.0      22.5
     208.0       2.2
     209.0       2.2
     238.0      75.6
     239.0       8.0
     240.0       7.7

400 MHz in CDCl3

Dimethyl 3,3'-dithiobispropionate(15441-06-2) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₈ H₁₄ O₄ S₂	0.05 ml : 0.5 ml CDCl₃
dimethyl 3,3'-dithiodipropionate

    Assign.     Shift(ppm)

      A             3.706
      B             2.933
      C             2.749

     Hz     ppm     Int.

   1481.20   3.707   1000
   1179.57   2.952    132
   1178.96   2.950    137
   1171.75   2.932    337
   1168.58   2.925     23
   1164.67   2.915    227
   1104.98   2.765    204
   1098.02   2.748    304
   1090.58   2.729    140

in CDCl3