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返回ChemicalBook首页>CAS数据库列表>4131-74-2更多图谱> 3,3'-硫代二丙酸二甲酯(4131-74-2)核磁图(1HNMR)

4131-74-2

3,3'-硫代二丙酸二甲酯(4131-74-2)核磁图(1HNMR)

分子式:C8H14O4S

分子量: 206.26

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

InChIKey: MYWWWNVEZBAKHR-UHFFFAOYSA-N

Smiles:S(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

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

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CCl4 solution

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liquid film

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