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返回ChemicalBook首页>CAS数据库列表>112-07-2更多图谱> 乙二醇丁醚醋酸酯(112-07-2)红外图谱(IR2)

112-07-2

乙二醇丁醚醋酸酯(112-07-2)红外图谱(IR2)

分子式:C8H16O3

分子量: 160.21

InChI:InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3

InChIKey: NQBXSWAWVZHKBZ-UHFFFAOYSA-N

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

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    Mass

    MS-NW-2124          
    ethylene glycol monobutyl ether acetate
    C8H16O3             (Mass of molecular ion:    160)
    

       Source Temperature: 250 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       5.7
          18.0       1.0
          27.0       7.4
          28.0       5.4
          29.0      22.4
          31.0       2.4
          32.0       1.3
          39.0       3.5
          41.0      26.0
          42.0       2.3
          43.0      85.9
          44.0      11.5
          45.0       9.5
          55.0       3.9
          56.0      50.0
          57.0     100.0
          58.0       4.8
          61.0       7.0
          70.0       1.8
          71.0       2.6
          72.0       1.4
          73.0       2.9
          74.0       7.1
          75.0       1.0
          85.0      17.8
          86.0       1.1
          87.0      33.7
          88.0      11.5
         100.0       9.2
         117.0       1.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H16 O3 0.04 ml : 0.5 ml CDCl3
    ethylene glycol monobutyl ether acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.21 B 3.63 C 3.47 D 2.082 E 1.56 F 1.37 G 0.93

         Hz     ppm     Int.
    

        382.44   4.271     92
        377.81   4.219    115
        376.19   4.201     63
        372.81   4.163    141
        329.06   3.675    156
        326.38   3.645     55
        325.69   3.637     71
        324.13   3.620    126
        323.19   3.609     79
        322.50   3.601     49
        319.56   3.569    101
        317.50   3.546     76
        311.00   3.473    204
        304.69   3.403     97
        186.44   2.082   1000
        142.06   1.587     46
        141.06   1.576     46
        139.44   1.557     40
        137.69   1.538     41
        135.56   1.514     71
        134.44   1.502     57
        132.88   1.484     49
        132.19   1.476     58
        131.69   1.471     54
        131.06   1.464     47
        129.63   1.448     35
        128.81   1.439     42
        126.63   1.414     45
        125.00   1.396     39
        121.38   1.356     42
        118.13   1.320     38
        111.94   1.250     30
         89.25   0.997    105
         82.69   0.924    228
         81.19   0.907     66
         76.56   0.855     36
         75.31   0.841     43
    

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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