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109-59-1

异丙氧基乙醇(109-59-1)核磁图(13CNMR)

产品名称:异丙氧基乙醇

CAS:109-59-1

分子式:C5H12O2

分子量: 104.15

InChI:InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3

InChIKey: HCGFUIQPSOCUHI-UHFFFAOYSA-N

Smiles:C(O)COC(C)C

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    Mass

    MS-NW-1324          
    2-isopropoxyethanol
    C5H12O2             (Mass of molecular ion:    104)
    

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

          15.0       4.4
          19.0       3.1
          26.0       1.0
          27.0      16.3
          28.0       1.8
          29.0       4.8
          31.0      14.7
          33.0       4.4
          39.0       5.0
          40.0       1.0
          41.0      22.8
          42.0      10.9
          43.0     100.0
          44.0       3.4
          45.0      65.1
          46.0       1.7
          55.0       2.8
          58.0       2.2
          59.0      10.8
          61.0       3.9
          73.0      32.2
          74.0       1.5
          86.0       1.0
          89.0      23.9
          90.0       1.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C5 H12 O2 0.04 ml : 0.5 ml CDCl3
    2-isopropoxyethanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.70 B 3.63 C 3.52 D 2.57 E 1.181

         Hz     ppm     Int.
    

        337.06   3.764     64
        332.50   3.713     95
        331.00   3.696    138
        328.19   3.665    145
        324.94   3.629    110
        319.56   3.569    199
        316.88   3.539    109
        315.19   3.520    115
        314.06   3.507     77
        313.63   3.502     73
        313.00   3.495     70
        311.69   3.481     66
        310.13   3.463     52
        229.88   2.567     99
        108.75   1.215   1000
        102.63   1.146    947
    

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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