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504-63-2

1,3-丙二醇(504-63-2)核磁图(1HNMR)

产品名称: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

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    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

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    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

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liquid film

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4880 A,200 M,liquid

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