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123-25-1

丁二酸二乙酯(123-25-1)核磁图(13CNMR)

产品名称:丁二酸二乙酯

CAS:123-25-1

分子式:C8H14O4

分子量: 174.19

InChI:InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3

InChIKey: DKMROQRQHGEIOW-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CCC(OCC)=O

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    Mass

    MS-NW-0066          
    diethyl succinate
    C8H14O4             (Mass of molecular ion:    174)
    

       Source Temperature: 230 °C
       Sample Temperature:  55 °C
       Reservoir, 75 eV
    

          15.0       1.2
          18.0       1.1
          26.0       1.9
          27.0      12.5
          28.0      10.1
          29.0      29.8
          30.0       1.2
          31.0       4.7
          32.0       1.7
          42.0       1.8
          43.0       3.9
          45.0       7.8
          55.0      16.4
          56.0       8.7
          57.0       3.7
          73.0      15.7
          74.0       9.1
          75.0       1.9
         100.0       4.8
         101.0     100.0
         102.0       9.6
         115.0       2.7
         128.0      16.9
         129.0      69.4
         130.0       5.0
         147.0       2.7
         174.0       1.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H14 O4 0.04 ml : 0.5 ml CDCl3
    diethyl succinate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.149 B 2.617 C 1.262

         Hz     ppm     Int.
    

        382.63   4.273     92
        375.44   4.193    314
        368.31   4.113    330
        361.25   4.034    111
        234.38   2.618   1000
        119.88   1.339    408
        112.81   1.260    847
        105.63   1.180    359
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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