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112-36-7

二乙二醇二乙醚(112-36-7)核磁图(1HNMR)

产品名称:二乙二醇二乙醚

CAS:112-36-7

分子式:C8H18O3

分子量: 162.23

InChI:InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3

InChIKey: RRQYJINTUHWNHW-UHFFFAOYSA-N

Smiles:O(CCOCC)CCOCC

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    Mass

    MS-NW-1357          
    3,6,9-trioxaundecane
    C8H18O3             (Mass of molecular ion:    162)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       2.9
          19.0       2.0
          27.0       8.8
          28.0       5.4
          29.0      17.9
          31.0      27.7
          41.0       1.7
          43.0       9.9
          44.0       7.8
          45.0     100.0
          46.0       2.4
          59.0      43.7
          60.0       1.7
          72.0      46.5
          73.0      41.7
          74.0       2.0
          89.0       2.0
          90.0       1.6
         101.0       1.1
         103.0       5.6
         116.0       1.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H18 O3 0.04 ml : 0.5 ml CDCl3
    3,6,9-trioxaundecane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.65 B 3.61 C 3.540 D 1.212

         Hz     ppm     Int.
    

        335.44   3.746     27
        333.94   3.729     22
        333.81   3.728     22
        331.81   3.705     55
        328.88   3.673    130
        326.50   3.646    398
        325.19   3.631    745
        324.56   3.624    757
        323.25   3.610    401
        320.81   3.583    170
        319.75   3.571    482
        318.00   3.551     77
        315.81   3.527     27
        314.31   3.510     38
        312.69   3.492    498
        305.88   3.416    148
        115.25   1.287    486
        108.31   1.210   1000
        101.25   1.131    410
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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