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57-55-6

丙二醇(57-55-6)質(zhì)譜(MS)

產(chǎn)品名稱:丙二醇

CAS:57-55-6

分子式:C3H8O2

分子量: 76.09

InChI:InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3

InChIKey: DNIAPMSPPWPWGF-UHFFFAOYSA-N

Smiles:C(O)C(O)C

  • 圖譜
    Mass 

    MS-NW-5528          
1,2-propanediol
C3H8O2              (Mass of molecular ion:     76)


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


          15.0       5.7
      18.0       2.0
      19.0       6.3
      26.0       1.6
      27.0      10.8
      28.0       3.4
      29.0       8.7
      31.0      11.5
      33.0       1.6
      39.0       1.4
      41.0       1.8
      42.0       1.7
      43.0      15.4
      44.0       5.7
      45.0     100.0
      46.0       2.6
      57.0       2.3
      58.0       1.7
      61.0       5.3

90 MHz in CDCl3

in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C3 H8 O2 0.04 ml : 0.5 ml CDCl3
    1,2-propanediol
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             3.92
      B             3.86
      C     *1      3.57
      D     *1      3.39
      E             1.137
     
     J(A,E)=6.4HZ. J(C,D)=-11.2HZ. J(A,C)=3.1HZ. J(A,D)=7.6HZ.
  

         Hz     ppm     Int.


        356.25   3.978     54
    355.88   3.974     52
    353.25   3.945     47
    352.00   3.931     30
    350.00   3.908     50
    348.63   3.893     70
    345.38   3.857   1000
    342.31   3.823     75
    340.75   3.805     32
    339.25   3.788     66
    329.50   3.680     46
    326.38   3.645     46
    318.25   3.554    147
    315.19   3.520    117
    309.88   3.461    221
    302.25   3.375    159
    298.63   3.335     76
    291.00   3.250     62
    105.00   1.173    934
     98.69   1.102    907

  • 圖譜

in CDCl3

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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