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112-73-2

二乙二醇二丁醚(112-73-2)核磁图(13CNMR)

产品名称:二乙二醇二丁醚

CAS:112-73-2

分子式:C12H26O3

分子量: 218.33

InChI:InChI=1S/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3

InChIKey: KZVBBTZJMSWGTK-UHFFFAOYSA-N

Smiles:O(CCOCCCC)CCOCCCC

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    Mass

    MS-NW-8489          
    diethylene glycol dibutyl ether
    C12H26O3            (Mass of molecular ion:    218)
    

       Source Temperature: 250 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          15.0       1.3
          27.0       6.7
          28.0       7.1
          29.0      31.4
          30.0       1.5
          31.0       3.5
          39.0       3.0
          41.0      32.8
          42.0       2.5
          43.0       6.9
          44.0       6.3
          45.0      51.8
          46.0       1.2
          55.0       7.3
          56.0      30.6
          57.0     100.0
          58.0       5.4
          59.0      15.7
          60.0       1.1
          61.0       1.0
          63.0       1.0
          69.0       2.1
          71.0       4.7
          72.0       6.8
          73.0       5.1
          75.0      23.8
          83.0       1.4
          85.0      14.8
          86.0       1.0
          87.0      10.6
          88.0       1.2
          89.0       4.2
         100.0      11.7
         101.0      12.1
         103.0       2.0
         117.0       1.7
         131.0       3.1
         144.0       1.0
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C12 H26 O3 0.05 ml : 0.5 ml CDCl3
    diethylene glycol dibutyl ether
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 3.647 B *1 3.587 C 3.464 D 1.568 E 1.370 F 0.915 90MHZ : HSP-02-815

         Hz     ppm     Int.
    

       1463.87   3.663    194
       1462.89   3.661    208
       1459.23   3.652    408
       1458.62   3.650    326
       1456.79   3.646    333
       1453.98   3.639    353
       1452.64   3.635    319
       1447.63   3.623     36
       1446.78   3.621     36
       1444.70   3.615     37
       1444.09   3.614     37
       1438.72   3.600    278
       1437.38   3.597    358
       1434.57   3.590    326
       1432.86   3.586    280
       1432.01   3.584    454
       1428.47   3.575    187
       1427.49   3.572    208
       1391.24   3.482    390
       1384.40   3.465    692
       1377.81   3.448    402
        640.75   1.604     75
        638.79   1.599     34
        634.64   1.588    175
        633.79   1.586    213
        631.47   1.581    103
        627.93   1.572    197
        627.08   1.570    245
        624.76   1.564    185
        619.14   1.550    231
        612.30   1.533    108
        565.31   1.415     65
        559.81   1.401     53
        557.86   1.396    177
        552.37   1.383    113
        550.17   1.377    242
        544.92   1.364    118
        542.48   1.358    252
        537.60   1.346     62
        535.28   1.340    164
        528.08   1.322     56
        378.05   0.946     43
        375.61   0.940     73
        373.17   0.934    578
        368.41   0.922    120
        365.84   0.916   1000
        360.96   0.904     81
        358.40   0.897    525
        353.52   0.885     43
    

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    1H NMR 89.56 MHz
    C12 H26 O3 0.04 ml : 0.5 ml CDCl3
    diethylene glycol dibutyl ether
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.77 to 3.43 B 3.46 C 1.54 D 1.36 E 0.92

         Hz     ppm     Int.
    

        334.44   3.735     50
        332.81   3.717     44
        330.94   3.696    106
        327.88   3.662    225
        325.56   3.636    490
        324.13   3.620   1000
        323.38   3.611    989
        321.88   3.595    529
        319.56   3.569    249
        316.63   3.536    287
        315.25   3.520    109
        313.00   3.495     87
        310.19   3.464    664
        303.81   3.393    310
        147.75   1.650     69
        146.56   1.637     64
        145.56   1.626     60
        144.69   1.616     46
        144.50   1.614     46
        141.38   1.579    139
        140.56   1.570    134
        138.94   1.552    118
        137.06   1.531    129
        134.94   1.507    218
        133.81   1.495    168
        132.31   1.478    147
        131.50   1.469    176
        130.94   1.463    168
        129.69   1.449    137
        127.75   1.427    126
        125.88   1.406    142
        124.13   1.386    119
        122.13   1.364     52
        120.44   1.345    125
        118.94   1.329     66
        117.31   1.310    129
        115.13   1.286     59
        114.19   1.276     59
        111.06   1.241     94
        109.50   1.223     50
        104.50   1.167     46
         89.31   0.998    185
         88.50   0.989    325
         84.31   0.942     60
         81.88   0.915    773
         80.25   0.897    199
         77.19   0.862     68
         75.75   0.846    116
         74.44   0.832    134
         72.38   0.809     75
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,100M,liquid

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