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112-34-5

二乙二醇丁醚(112-34-5)质谱(MS)

产品名称:二乙二醇丁醚

CAS:112-34-5

分子式:C8H18O3

分子量: 162.23

InChI:InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3

InChIKey: OAYXUHPQHDHDDZ-UHFFFAOYSA-N

Smiles:C(O)COCCOCCCC

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    Mass

    MS-NW-5513          
    diethylene glycol monobutyl ether
    C8H18O3             (Mass of molecular ion:    162)
    

       Source Temperature: 240 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       3.3
          18.0       2.1
          19.0       2.9
          26.0       1.4
          27.0      12.2
          28.0       9.3
          29.0      29.6
          30.0       1.4
          31.0      10.1
          33.0       1.5
          39.0       4.1
          41.0      31.7
          42.0       2.3
          43.0       6.8
          44.0       8.8
          45.0      99.1
          46.0       2.4
          55.0       6.1
          56.0      18.0
          57.0     100.0
          58.0       5.3
          59.0       9.5
          60.0       6.3
          61.0       2.8
          62.0       3.6
          63.0       1.6
          69.0       1.2
          71.0       4.3
          72.0       8.0
          73.0       4.8
          75.0      20.5
          76.0       1.4
          77.0       2.4
          85.0       5.0
          87.0      11.1
          88.0       2.0
          89.0       9.1
          90.0       1.3
         100.0       7.1
         101.0       5.6
         131.0       2.5
         132.0       3.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H18 O3 0.04 ml : 0.5 ml CDCl3
    diethylene glycol monobutyl ether
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.82 to 3.43 B 3.47 C 2.98 D 1.55 E 1.35 F 0.93

         Hz     ppm     Int.
    

        339.81   3.795     87
        337.69   3.771    142
        336.88   3.762    123
        336.06   3.753    102
        335.56   3.747    106
        334.69   3.738    184
        333.50   3.724    257
        332.56   3.714    343
        330.44   3.690    608
        329.88   3.684    641
        328.31   3.666    280
        327.06   3.652    851
        325.69   3.637    958
        324.31   3.622   1000
        322.63   3.603    518
        321.63   3.592    321
        319.75   3.571    268
        317.69   3.548    264
        317.13   3.541    306
        314.31   3.510     95
        311.25   3.476    621
        304.81   3.404    299
        266.38   2.975    582
        148.81   1.662     66
        147.56   1.648     59
        146.69   1.638     59
        145.63   1.627     43
        145.19   1.622     44
        142.38   1.590    128
        141.69   1.583    122
        140.06   1.564    106
        139.38   1.557     86
        137.63   1.537    109
        135.88   1.518    195
        134.75   1.505    152
        133.19   1.488    124
        132.69   1.482    117
        131.88   1.473    155
        131.44   1.468    162
        130.31   1.456    132
        128.13   1.431    107
        126.31   1.411    128
        124.56   1.391    115
        122.19   1.365     45
        120.81   1.349    116
        119.31   1.333     56
        117.69   1.315    120
        115.63   1.292     56
        114.63   1.280     52
        111.44   1.245     91
        110.00   1.229     50
        104.94   1.172     41
         89.88   1.004    154
         88.94   0.994    294
         88.13   0.985    264
         84.88   0.948     57
         84.50   0.944     57
         82.38   0.920    679
         80.75   0.902    198
         76.31   0.853    102
         74.94   0.837    124
         73.00   0.816     62
    

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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