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1694-31-1

乙酰乙酸叔丁酯(1694-31-1)核磁图(1HNMR)

产品名称:乙酰乙酸叔丁酯

CAS:1694-31-1

分子式:C8H14O3

分子量: 158.2

InChI:InChI=1S/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3

InChIKey: JKUYRAMKJLMYLO-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1091          
    tert-butyl acetoacetate
    C8H14O3             (Mass of molecular ion:    158)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          14.0       1.8
          15.0      11.4
          18.0       1.1
          26.0       2.8
          27.0      11.7
          28.0       5.1
          29.0      23.0
          31.0      14.0
          37.0       1.2
          38.0       1.9
          39.0      13.5
          40.0       2.6
          41.0      48.1
          42.0       8.8
          43.0      90.9
          44.0      10.1
          50.0       1.0
          53.0       1.2
          55.0       4.5
          56.0      16.3
          57.0     100.0
          58.0       8.7
          59.0      56.1
          60.0       2.0
          69.0       6.1
          84.0       6.3
          85.0      39.5
          86.0       1.8
         101.0       2.7
         102.0       3.4
         103.0      20.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H14 O3 0.04 ml : 0.5 ml CDCl3
    tert-butyl acetoacetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.353 B 2.254 C 1.476

         Hz     ppm     Int.
    

        300.63   3.357    122
        300.19   3.352    127
        201.94   2.255    260
        132.19   1.476   1000
    

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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