1HNMR)的核磁圖,紅外圖譜,Raman光譜,質(zhì)譜等圖譜" /> 1HNMR)" />

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111-48-8

硫代二甘醇(111-48-8)核磁圖(1HNMR)

產(chǎn)品名稱:硫代二甘醇

CAS:111-48-8

分子式:C4H10O2S

分子量: 122.19

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

InChIKey: YODZTKMDCQEPHD-UHFFFAOYSA-N

Smiles:S(CCO)CCO

  • 圖譜
    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

  • 圖譜

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

  • 圖譜

KBr disc

  • 圖譜

liquid film

  • 圖譜

  • 圖譜

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