Dimethyl 3,3'-thiodipropanoate(4131-74-2) IR1

Product NameDimethyl 3,3'-thiodipropanoate

CAS 4131-74-2

Molecular FormulaC8H14O4S

Molecular Weight206.26

InChIInChI=1S/C8H14O4S/c1-11-7(9)3-5-13-6-4-8(10)12-2/h3-6H2,1-2H3

InChIKey MYWWWNVEZBAKHR-UHFFFAOYSA-N

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

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Mass

MS-NW-1019          
dimethyl 3,3'-thiodipropionate
C8H14O4S            (Mass of molecular ion:    206)

   Source Temperature: 260 °C
   Sample Temperature: 130 °C
   Reservoir, 75 eV

      15.0      46.6
      17.0       1.2
      18.0       5.9
      26.0       4.1
      27.0      24.7
      28.0      23.2
      29.0       5.6
      30.0       1.2
      31.0       5.4
      32.0       3.8
      35.0       1.9
      39.0       2.2
      41.0       8.1
      42.0       3.9
      43.0      10.9
      44.0       1.9
      45.0      93.6
      46.0      10.9
      47.0       7.2
      49.0       2.2
      53.0       1.0
      54.0       1.1
      55.0      71.1
      56.0       8.4
      57.0      25.9
      58.0      14.9
      59.0      70.6
      60.0      23.9
      61.0       8.4
      62.0       1.2
      72.0       1.3
      73.0      11.6
      74.0       3.4
      75.0       2.0
      77.0      22.0
      79.0       1.0
      85.0       3.0
      86.0      15.2
      87.0      52.3
      88.0      41.6
      89.0       4.2
      90.0       1.3
      91.0       2.4
      92.0       1.1
     101.0       3.5
     103.0       1.9
     114.0      40.1
     115.0       5.2
     116.0       3.3
     117.0       1.1
     118.0      10.8
     119.0      57.9
     120.0      10.4
     121.0       3.2
     133.0      24.0
     134.0       1.5
     135.0       1.2
     142.0      16.8
     143.0      50.7
     144.0       4.6
     145.0       2.6
     146.0     100.0
     147.0      11.5
     148.0       5.6
     174.0       1.1
     175.0      12.5
     176.0       1.0
     188.0       1.5
     202.0       1.8
     206.0      72.2
     207.0       7.0
     208.0       4.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₄ O₄ S	0.04 ml : 0.5 ml CDCl₃
dimethyl 3,3'-thiodipropionate

    Assign.     Shift(ppm)

      A             3.702
      B             2.831
      C             2.603

     Hz     ppm     Int.

    331.56   3.703   1000
    261.69   2.922     30
    258.31   2.885     48
    256.63   2.866     36
    251.69   2.811    152
    246.94   2.758    143
    245.81   2.745    174
    240.75   2.689    136
    239.69   2.677    120
    234.94   2.624    133
    230.00   2.569     29
    228.31   2.550     32

in CDCl3