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105-58-8

碳酸二乙酯(105-58-8)Raman光谱

产品名称:碳酸二乙酯

CAS:105-58-8

分子式:C5H10O3

分子量: 118.13

InChI:InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3

InChIKey: OIFBSDVPJOWBCH-UHFFFAOYSA-N

Smiles:C(=O)(OCC)OCC

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    Mass

    MS-NW-0581          
    diethyl carbonate
    C5H10O3             (Mass of molecular ion:    118)
    

       Source Temperature: 280 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          14.0       1.1
          15.0       4.8
          19.0       3.4
          26.0       4.3
          27.0      26.4
          28.0      14.9
          29.0     100.0
          30.0       2.5
          31.0      76.5
          41.0       2.5
          43.0       4.9
          44.0       4.8
          45.0      99.4
          46.0       3.9
          47.0       3.3
          59.0       6.0
          63.0      16.8
          75.0       1.6
          90.0       1.6
          91.0      35.1
          92.0       1.1
    

90 MHz in CDCl3

parameter in CDCl3

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    1H NMR 89.56 MHz
    C5 H10 O3 0.04 ml : 0.5 ml CDCl3
    diethyl carbonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.186 B 1.307

         Hz     ppm     Int.
    

        385.94   4.310    124
        378.81   4.230    487
        371.69   4.151    514
        364.63   4.072    146
        124.06   1.386    489
        117.00   1.307   1000
        109.81   1.227    430
    

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    1H NMR 300 MHz
    C5 H10 O3 0.04 ml : 0.5 ml CDCl3
    diethyl carbonate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 4.186 D(B) 1.307 J(A,B) 7.12

         Hz     ppm     Int.
    

       1266.54   4.222    163
       1259.41   4.198    494
       1252.31   4.174    499
       1245.18   4.151    171
        399.20   1.331    507
        392.10   1.307   1000
        384.97   1.283    489
    

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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