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504-63-2

1,3-丙二醇(504-63-2)Raman光譜

產品名稱:1,3-丙二醇

CAS:504-63-2

分子式:C3H8O2

分子量: 76.09

InChI:InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2

InChIKey: YPFDHNVEDLHUCE-UHFFFAOYSA-N

Smiles:C(O)CCO

  • 圖譜
    Mass 

    MS-NW-1699          
1,3-propanediol
C3H8O2              (Mass of molecular ion:     76)


       Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV


          14.0       1.2
      15.0       4.0
      17.0       1.1
      18.0       5.3
      19.0      13.9
      26.0       6.9
      27.0      26.4
      28.0     100.0
      29.0      26.4
      30.0      16.0
      31.0      73.7
      32.0       1.3
      38.0       1.1
      39.0       4.5
      40.0       3.8
      41.0       4.9
      42.0       3.8
      43.0      16.8
      44.0       4.1
      45.0      20.8
      46.0      13.1
      47.0       3.9
      49.0       1.1
      55.0       2.6
      56.0       1.7
      57.0      62.7
      58.0      80.1
      59.0       4.1
      87.0       2.3

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C3 H8 O2 0.04 ml : 0.5 ml CDCl3
    1,3-propanediol
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             3.833
      B             2.75
      C             1.81
  

         Hz     ppm     Int.


        349.19   3.899    718
    343.63   3.837   1000
    337.75   3.772    842
    246.25   2.750    602
    173.38   1.936     94
    167.38   1.869    259
    162.75   1.818    153
    161.88   1.808    362
    155.75   1.740    206
    150.63   1.682     85

in CDCl3

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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