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40137-22-2

3-甲胺基-1,2-丙二醇(40137-22-2)质谱(MS)

分子式:C4H11NO2

分子量: 105.14

InChI:InChI=1S/C4H11NO2/c1-5-2-4(7)3-6/h4-7H,2-3H2,1H3

InChIKey: WOMTYMDHLQTCHY-UHFFFAOYSA-N

Smiles:C(O)C(O)CNC

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    Mass

    MS-IW-9462          
    3-methylamino-1,2-propanediol
    C4H11NO2            (Mass of molecular ion:    105)
    

       Source Temperature: 230 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       3.9
          18.0       6.4
          27.0       2.1
          28.0       7.1
          29.0       3.9
          30.0       6.5
          31.0       3.8
          41.0       2.1
          42.0      10.3
          43.0       6.6
          44.0     100.0
          45.0       3.2
          56.0       5.3
          57.0       1.2
          58.0       1.4
          59.0       1.1
          70.0       1.1
          74.0       9.2
          87.0       2.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C4 H11 N O2 0.05 ml : 0.5 ml CDCl3
    3-methylamino-1,2-propanediol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.5 B 3.779 C *1 3.543 D *1 3.482 E *2 2.611 F *2 2.559 G 2.410

         Hz     ppm     Int.
    

       1802.73   4.511     51
       1510.62   3.780     85
       1425.29   3.567     80
       1421.14   3.556     83
       1414.06   3.539    167
       1409.91   3.528    142
       1398.93   3.501    149
       1392.46   3.485    141
       1387.57   3.472     86
       1381.23   3.457     73
       1053.47   2.636     67
       1049.68   2.627     80
       1041.50   2.607    172
       1037.72   2.597    146
       1030.76   2.580    149
       1022.58   2.559    141
       1018.80   2.550     73
       1010.62   2.529     67
        963.38   2.411   1000
        952.39   2.384     23
    

in CDCl3

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liquid film

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