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539-88-8

乙酰丙酸乙酯(539-88-8)红外图谱(IR1)

产品名称:乙酰丙酸乙酯

CAS:539-88-8

分子式:C7H12O3

分子量: 144.17

InChI:InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3

InChIKey: GMEONFUTDYJSNV-UHFFFAOYSA-N

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

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    Mass

    MS-NW-8885          
    ethyl 4-oxovalerate
    C7H12O3             (Mass of molecular ion:    144)
    

       Source Temperature: 280 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       3.9
          26.0       1.5
          27.0       9.3
          28.0       7.5
          29.0      17.4
          30.0       1.7
          31.0       1.5
          39.0       1.1
          41.0       1.3
          42.0       4.7
          43.0     100.0
          44.0       2.7
          45.0       9.1
          55.0      10.9
          56.0       7.1
          57.0       7.7
          58.0       1.8
          61.0       1.1
          71.0      13.0
          72.0       1.3
          73.0      14.4
          74.0      20.7
          75.0       5.2
          81.0       1.4
          98.0      12.0
          99.0      69.1
         100.0       4.6
         101.0      18.6
         102.0      23.5
         103.0       1.8
         116.0       1.1
         129.0      21.5
         130.0       1.5
         144.0       2.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H12 O3 0.04 ml : 0.5 ml CDCl3
    ethyl 4-oxovalerate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.126 B 2.74 C 2.58 D 2.190 E 1.255

         Hz     ppm     Int.
    

        380.69   4.251     71
        373.38   4.170    227
        366.25   4.090    237
        359.25   4.012     83
        252.56   2.821     38
        250.31   2.795     36
        246.75   2.756    121
        241.75   2.700    144
        241.06   2.692    149
        235.13   2.626    180
        234.13   2.615    146
        230.00   2.569    114
        229.31   2.561    137
        225.69   2.520     41
        223.63   2.497     46
        220.88   2.467     33
        196.19   2.191   1000
        119.31   1.333    310
        112.25   1.254    677
        105.06   1.174    271
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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