1892-29-1

2-羟乙基二硫化物(1892-29-1)质谱(MS)

产品名称:2-羟乙基二硫化物

CAS:1892-29-1

分子式:C4H10O2S2

分子量: 154.25

InChI:InChI=1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2

InChIKey: KYNFOMQIXZUKRK-UHFFFAOYSA-N

Smiles:S(CCO)SCCO

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-6413          
2,2'-dithiodiethanol
C4H10O2S2           (Mass of molecular ion:    154)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      14.0       2.5
      15.0      10.9
      17.0       3.0
      18.0      13.3
      19.0      12.7
      26.0       4.6
      27.0      25.3
      28.0       4.9
      29.0      17.9
      30.0       1.3
      31.0      38.6
      32.0       1.5
      34.0       1.3
      35.0       1.0
      42.0       3.9
      43.0      23.8
      44.0      10.4
      45.0     100.0
      46.0      18.4
      47.0      24.1
      48.0       7.9
      49.0      11.1
      57.0       1.1
      58.0       4.1
      59.0      14.1
      60.0      21.4
      61.0      20.2
      62.0       1.7
      63.0       1.2
      64.0      51.9
      65.0       2.6
      66.0       6.1
      74.0       1.2
      75.0       3.3
      76.0      10.4
      77.0       4.1
      78.0       6.6
      79.0      43.7
      80.0       3.4
      81.0       4.6
      82.0       7.6
      89.0       4.2
      91.0       3.8
      92.0      90.4
      93.0       5.3
      94.0       8.3
     107.0       6.1
     108.0       2.6
     109.0       1.4
     110.0      12.2
     112.0       1.3
     123.0       1.2
     136.0       1.7
     154.0      49.2
     155.0       3.3
     156.0       4.9

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₄ H₁₀ O₂ S₂	0.05 ml : 0.5 ml DMSO-d₆
2,2'-dithiodiethanol

    Assign.     Shift(ppm)

      A             4.86
      B             3.631
      C             2.787

     Hz     ppm     Int.

   1947.63   4.874    130
   1942.63   4.861    306
   1937.38   4.848    122
   1460.21   3.654    169
   1453.86   3.638    348
   1448.61   3.625    334
   1442.14   3.609    157
   1120.12   2.803    618
   1113.65   2.787   1000
   1107.06   2.771    512
   1101.56   2.757     21

in CDCl3

in DMSO-d6