2,2'-Thiodiethanol(111-48-8) ¹³C NMR

Product Name2,2'-Thiodiethanol

CAS 111-48-8

Molecular FormulaC4H10O2S

Molecular Weight122.19

InChIInChI=1S/C4H10O2S/c5-1-3-7-4-2-6/h5-6H,1-4H2

InChIKey YODZTKMDCQEPHD-UHFFFAOYSA-N

SmilesS(CCO)CCO

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Mass

MS-NW-1465          
2,2'-thiodiethanol
C4H10O2S            (Mass of molecular ion:    122)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      14.0       1.2
      15.0       6.0
      18.0       2.3
      19.0       6.1
      26.0       2.1
      27.0      15.8
      28.0       3.1
      29.0       8.4
      31.0      17.3
      35.0       3.2
      41.0       2.3
      42.0       2.1
      43.0      10.9
      44.0      15.0
      45.0      53.6
      46.0      16.4
      47.0      26.8
      48.0       9.9
      49.0       8.9
      58.0       2.5
      59.0      10.5
      60.0      18.8
      61.0     100.0
      62.0       5.8
      63.0       4.8
      73.0       3.5
      74.0       3.5
      75.0       3.4
      76.0       1.6
      91.0      33.1
      92.0       6.7
      93.0       1.7
     104.0      33.7
     105.0       2.7
     106.0       1.7
     122.0       4.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₁₀ O₂ S	0.05 ml : 0.5 ml CDCl₃
2,2'-thiodiethanol

    Assign.     Shift(ppm)

      A             4.1
      B             3.759
      C             2.748

     Hz     ppm     Int.

   1628.05   4.074     96
   1508.91   3.776    433
   1502.81   3.761    850
   1496.83   3.746    502
   1104.37   2.764    542
   1098.27   2.749   1000
   1092.16   2.733    562

in CDCl3

KBr disc

liquid film

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2,2'-Thiodiethanol(111-48-8) ¹³C NMR