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106-31-0

丁酸酐(106-31-0)核磁图(13CNMR)

产品名称:丁酸酐

CAS:106-31-0

分子式:C8H14O3

分子量: 158.2

InChI:InChI=1S/C8H14O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H2,1-2H3

InChIKey: YHASWHZGWUONAO-UHFFFAOYSA-N

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

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    Mass

    MS-NW-3133          
    butyric anhydride
    C8H14O3             (Mass of molecular ion:    158)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          26.0       1.3
          27.0      13.1
          28.0       1.1
          29.0       2.3
          39.0       5.6
          40.0       1.1
          41.0      13.4
          42.0       4.4
          43.0      45.8
          44.0       1.4
          45.0       1.1
          55.0       5.3
          60.0       8.3
          70.0       3.9
          71.0     100.0
          72.0       4.7
          73.0       2.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H14 O3 0.05 ml : 0.5 ml CDCl3
    butyric anhydride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.429 B 1.69 C 1.00

         Hz     ppm     Int.
    

        226.13   2.525    240
        225.25   2.516    258
        218.81   2.444    450
        218.13   2.436    594
        215.75   2.410     39
        211.63   2.363    383
        211.00   2.356    400
        170.25   1.901     49
        163.63   1.828     94
        162.63   1.816    157
        155.75   1.740    278
        154.69   1.728    178
        148.75   1.661    208
        147.63   1.649    253
        142.06   1.587     71
        140.81   1.573    179
        133.81   1.495     52
         96.38   1.077    293
         95.69   1.069    533
         92.19   1.030     30
         90.88   1.015     34
         88.88   0.993   1000
         88.13   0.985    616
         81.94   0.915    188
         81.13   0.906    330
         80.13   0.895    174
    

in CDCl3

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liquid film

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