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7152-15-0

异丁酰乙酸乙酯(7152-15-0)核磁图(1HNMR)

产品名称:异丁酰乙酸乙酯

CAS:7152-15-0

分子式:C8H14O3

分子量: 158.2

InChI:InChI=1S/C8H14O3/c1-4-11-8(10)5-7(9)6(2)3/h6H,4-5H2,1-3H3

InChIKey: XCLDSQRVMMXWMS-UHFFFAOYSA-N

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

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    Mass

    MS-NW-7502          
    ethyl isobutyrylacetate
    C8H14O3             (Mass of molecular ion:    158)
    

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

          14.0       1.4
          15.0       4.9
          26.0       2.5
          27.0      24.0
          28.0       4.9
          29.0      60.9
          30.0       1.4
          31.0      12.7
          39.0       8.7
          40.0       1.7
          41.0      23.6
          42.0      11.4
          43.0     100.0
          44.0       4.7
          45.0      11.4
          46.0       2.1
          55.0       3.5
          56.0       1.1
          57.0       1.2
          59.0       2.7
          60.0      11.2
          61.0       5.5
          67.0       1.0
          69.0      15.0
          70.0      15.0
          71.0      62.1
          72.0       3.1
          73.0       3.3
          86.0       3.1
          87.0      18.9
          88.0       4.3
          97.0       1.7
         112.0       8.5
         113.0       6.3
         115.0      32.9
         116.0       2.3
         145.0       1.8
         158.0      14.2
         159.0       1.5
    

parameter in CDCl3

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    1H NMR 300 MHz
    C8 H14 O3 0.05 ml : 0.5 ml CDCl3
    ethyl isobutyrylacetate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 4.184 D(D) 1.268 J(A,D) 7.1 D(B) 3.475 D(C) 2.683 D(E) 1.131 J(C,E) 6.9

         Hz     ppm     Int.
    

       1265.92   4.220     81
       1258.80   4.196    246
       1251.71   4.172    250
       1244.62   4.149     85
       1042.50   3.475    667
        818.82   2.729     28
        811.94   2.706     69
        805.02   2.683     94
        798.14   2.660     73
        791.22   2.637     31
        387.48   1.292    253
        380.36   1.268    498
        373.30   1.244    245
        342.74   1.142   1000
        335.82   1.119    962
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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