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111-17-1

3,3'-Thiodipropionic acid

Product Name 3,3'-Thiodipropionic acid

CAS111-17-1

MFC6H10O4S

MW178.21

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  • 111-17-1_ms
    Mass

    MS-IW-3890          
    3,3'-thiodipropionic acid
    C6H10O4S            (Mass of molecular ion:    178)
    

       Source Temperature: 170 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          17.0       1.1
          18.0       5.2
          26.0       5.5
          27.0      40.7
          28.0      26.3
          29.0      16.3
          30.0       2.1
          31.0       4.8
          33.0       1.2
          34.0       2.5
          35.0      10.9
          41.0       1.1
          42.0       5.0
          43.0      17.5
          44.0       7.1
          45.0      66.1
          46.0      12.9
          47.0      21.6
          48.0       1.1
          49.0       1.1
          53.0       1.4
          54.0       1.1
          55.0      28.1
          56.0       9.0
          57.0       2.9
          58.0      13.6
          59.0      29.5
          60.0      35.6
          61.0      35.8
          62.0       2.9
          63.0      11.8
          71.0       5.0
          72.0       5.8
          73.0      39.6
          74.0      24.0
          75.0       2.9
          76.0       1.6
          77.0      17.8
          85.0       1.4
          86.0       5.8
          87.0      94.5
          88.0      18.8
          89.0      74.0
          90.0       4.2
          91.0       6.3
         100.0       1.6
         101.0       2.2
         103.0       1.1
         104.0      23.9
         105.0      47.4
         106.0      10.4
         107.0       2.6
         114.0      75.3
         115.0       5.9
         116.0       3.8
         118.0       1.2
         119.0      14.7
         120.0       1.0
         132.0      82.1
         133.0       7.7
         134.0       4.5
         142.0       7.0
         143.0       2.1
         160.0       1.4
         178.0     100.0
         179.0       7.7
         180.0       5.6
    

400 MHz in DMSO-d6

90 MHz in D2O

  • 111-17-1_1hnmr_2

    1H NMR 399.65 MHz
    C6 H10 O4 S 0.036 g : 0.5 ml DMSO-d6
    3,3'-thiodipropionic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12. B 2.683 C 2.502

         Hz     ppm     Int.
    

       1080.13   2.703    427
       1072.99   2.685   1000
       1065.85   2.667    616
       1005.22   2.516    978
       1001.37   2.506    350
        998.44   2.499    998
        991.11   2.480    420
    

  • 111-17-1_1hnmr

    1H NMR 89.56 MHz
    C6 H10 O4 S 0.040 g : 0.5 ml D2O
    3,3'-thiodipropionic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    B 2.81 C 2.71 THE SOLVENT SIGNAL REMOVED.

         Hz     ppm     Int.
    

        259.56   2.899    174
        253.13   2.827    558
        248.75   2.778    776
        245.25   2.739    953
        241.38   2.696   1000
        235.13   2.626    238
    

in DMSO-d6

in D2O

  • 111-17-1_13cnmr

  • 111-17-1_13cnmr_2

KBr disc

  • 111-17-1_ir1_2

nujol mull

  • 111-17-1_ir2