3-METHYLTHIO-1,2-PROPANEDIOL(22551-26-4) ¹³C NMR

Mass

MS-IW-0214          
3-methylthio-1,2-propanediol
C4H10O2S            (Mass of molecular ion:    122)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       6.5
      18.0       1.5
      19.0       2.4
      27.0       9.4
      28.0       4.8
      29.0       7.5
      31.0      12.6
      35.0       9.7
      39.0       2.0
      41.0       2.1
      42.0       2.2
      43.0      31.4
      44.0       7.5
      45.0      22.3
      46.0      17.0
      47.0      38.4
      48.0      14.5
      49.0       7.8
      55.0       2.4
      56.0       5.9
      57.0      52.0
      58.0       4.3
      59.0       4.4
      60.0       3.3
      61.0     100.0
      62.0      53.5
      63.0       9.4
      64.0       2.6
      73.0       7.8
      74.0       2.9
      75.0       6.1
      76.0       7.7
      77.0       1.2
      78.0       1.6
      89.0       1.8
      90.0       3.8
      91.0      73.9
      92.0       3.4
      93.0       3.6
     104.0      83.1
     105.0       7.6
     106.0       4.2
     117.0       2.2
     118.0       1.0
     122.0       7.6
     131.0       1.0

Assign. Shift(ppm) A *1 4.14 B *1 4.03 C 3.837 D *2 3.728 E *2 3.566 F *3 2.623 G *3 2.597 J 2.144

     Hz     ppm     Int.

   1655.27   4.142     45
   1609.62   4.028     40
   1062.13   2.658     42
   1056.52   2.644     54
   1048.46   2.624    250
   1044.56   2.614    252
   1042.85   2.610    250
   1037.11   2.596    229
   1030.88   2.580     45
   1023.56   2.562     51
    856.69   2.144   1000
    853.03   2.135     70