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124-17-4

二乙二醇丁醚醋酸酯(124-17-4)质谱(MS)

分子式:C10H20O4

分子量: 204.26

InChI:InChI=1S/C10H20O4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11/h3-9H2,1-2H3

InChIKey: VXQBJTKSVGFQOL-UHFFFAOYSA-N

Smiles:C(OC(=O)C)COCCOCCCC

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    Mass

    MS-NW-8493          
    diethylene glycol monobutyl ether acetate
    C10H20O4            (Mass of molecular ion:    204)
    

       Source Temperature: 260 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          15.0       5.5
          19.0       1.1
          27.0       8.6
          28.0      10.8
          29.0      29.9
          30.0       1.9
          31.0       5.1
          39.0       3.4
          41.0      30.8
          42.0       4.4
          43.0      93.0
          44.0      10.0
          45.0      35.2
          55.0       4.9
          56.0      22.3
          57.0     100.0
          58.0       8.2
          59.0       5.7
          60.0       1.6
          61.0       8.5
          70.0       1.7
          71.0       5.0
          72.0      11.9
          73.0       7.8
          74.0       3.4
          75.0       7.5
          85.0       7.6
          86.0       2.8
          87.0      62.9
          88.0       5.8
          89.0       6.4
         100.0       5.1
         101.0       6.1
         104.0       1.2
         117.0       1.0
         131.0       1.1
         132.0       1.3
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10 H20 O4 0.05 ml : 0.5 ml CDCl3
    diethylene glycol monobutyl ether acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.227 B 3.712 C *1 3.649 D *1 3.591 E 3.467 F 2.079 G 1.574 J 1.373 K 0.920

         Hz     ppm     Int.
    

       1694.34   4.240    190
       1690.67   4.231    115
       1689.58   4.228    195
       1688.23   4.225    109
       1684.69   4.216    201
       1488.28   3.724    239
       1485.47   3.717     92
       1484.74   3.716    123
       1483.40   3.712    218
       1482.18   3.709    124
       1481.57   3.708     94
       1478.64   3.700    212
       1464.60   3.665     92
       1463.62   3.663     97
       1460.21   3.654    218
       1459.35   3.652    144
       1457.52   3.647    160
       1456.05   3.644     78
       1454.96   3.641    167
       1453.61   3.638    151
       1439.82   3.603    153
       1438.60   3.600    170
       1437.50   3.597     82
       1435.91   3.593    160
       1434.08   3.589    137
       1433.23   3.587    214
       1429.81   3.578     90
       1428.83   3.576     87
       1392.46   3.485    195
       1385.74   3.468    360
       1379.03   3.451    193
        834.23   2.088     61
        830.81   2.079   1000
        827.15   2.070     33
        642.46   1.608     34
        635.86   1.592     90
        635.13   1.590    100
        632.69   1.584     41
        629.27   1.575    103
        628.54   1.573    115
        625.98   1.567     75
        620.61   1.553    104
        613.89   1.537     47
        559.20   1.400     82
        553.59   1.386     52
        551.51   1.380    111
        546.14   1.367     53
        543.82   1.361    113
        536.62   1.343     73
        374.63   0.938    297
        367.31   0.920    546
        359.86   0.901    248
    

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    1H NMR 89.56 MHz
    C10 H20 O4 0.04 ml : 0.5 ml CDCl3
    diethylene glycol monobutyl ether acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.23 B 3.70 C 3.62 D 3.47 E 2.074 F 1.57 G 1.35 J 0.92

         Hz     ppm     Int.
    

        383.50   4.283     67
        378.94   4.232     90
        377.13   4.211     53
        376.56   4.205     40
        373.88   4.175    121
        336.38   3.756    136
        333.81   3.728     57
        333.13   3.720     77
        331.63   3.703    105
        331.25   3.699    108
        330.69   3.693    101
        330.00   3.685     61
        328.13   3.664     73
        327.06   3.652     98
        326.63   3.648    109
        326.19   3.643     97
        325.50   3.635    152
        324.19   3.620    280
        323.50   3.613    291
        322.19   3.598    164
        321.56   3.591     92
        319.56   3.569     64
        316.94   3.539     80
        315.63   3.525     32
        310.56   3.468    188
        304.13   3.396     87
        185.81   2.075   1000
        184.00   2.055     72
        141.63   1.582     38
        140.69   1.571     37
        140.00   1.564     32
        139.25   1.555     33
        137.31   1.534     36
        135.19   1.510     59
        134.06   1.497     45
        133.88   1.495     45
        132.50   1.480     38
        131.75   1.472     47
        131.19   1.465     45
        130.63   1.459     38
        130.00   1.452     37
        128.06   1.430     35
        126.06   1.408     38
        124.31   1.389     32
        120.75   1.349     37
        117.56   1.313     35
         89.69   1.002     45
         88.81   0.992     86
         87.94   0.982     75
         82.19   0.918    215
         80.56   0.900     54
         79.88   0.892     46
         76.06   0.850     32
         74.75   0.835     39
    

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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