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78-39-7

原乙酸三乙酯(78-39-7)Raman光谱

产品名称:原乙酸三乙酯

CAS:78-39-7

分子式:C8H18O3

分子量: 162.23

InChI:InChI=1S/C8H18O3/c1-5-9-8(4,10-6-2)11-7-3/h5-7H2,1-4H3

InChIKey: NDQXKKFRNOPRDW-UHFFFAOYSA-N

Smiles:C(OCC)(OCC)(OCC)C

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    Mass

    MS-NW-2107          
    triethyl orthoacetate
    C8H18O3             (Mass of molecular ion:    162)
    

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

          14.0       3.8
          15.0       9.4
          18.0       1.4
          19.0       2.9
          26.0       6.8
          27.0      34.7
          28.0       9.7
          29.0      59.5
          30.0       3.5
          31.0      72.6
          41.0       3.3
          42.0      54.9
          43.0     100.0
          44.0       4.0
          45.0      57.8
          46.0      12.7
          47.0       1.0
          59.0       2.3
          60.0      95.9
          61.0      45.7
          62.0       1.4
          63.0       1.1
          70.0       5.2
          71.0       1.7
          72.0       1.1
          73.0       3.0
          87.0       4.2
          88.0       2.3
          89.0      16.7
         116.0      30.8
         117.0      11.2
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H18 O3 0.04 ml : 0.5 ml CDCl3
    triethyl orthoacetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.541 B 1.463 C 1.205

         Hz     ppm     Int.
    

        328.13   3.664    129
        321.00   3.585    474
        313.88   3.505    506
        306.88   3.427    159
        131.00   1.463    750
        117.50   1.312     21
        114.75   1.282    507
        112.69   1.259     46
        110.56   1.235     36
        109.94   1.228     26
        107.69   1.203   1000
        100.56   1.123    434
    

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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