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88-09-5

2-乙基丁酸(88-09-5)红外图谱(IR1)

产品名称:2-乙基丁酸

CAS:88-09-5

分子式:C6H12O2

分子量: 116.16

InChI:InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)

InChIKey: OXQGTIUCKGYOAA-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1290          
    2-ethylbutyric acid
    C6H12O2             (Mass of molecular ion:    116)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       1.9
          18.0       1.1
          26.0       2.2
          27.0      25.3
          28.0       6.6
          29.0      25.8
          31.0       1.8
          32.0       1.3
          38.0       1.5
          39.0      15.4
          40.0       2.3
          41.0      30.0
          42.0       5.9
          43.0     100.0
          44.0       3.1
          45.0       8.5
          53.0       2.2
          55.0      17.4
          56.0       1.4
          57.0       2.1
          59.0       1.7
          60.0       2.7
          68.0       1.0
          69.0       7.5
          70.0       3.8
          71.0      27.8
          72.0       1.5
          73.0      66.2
          74.0       3.7
          83.0       1.0
          87.0      32.4
          88.0      90.1
          89.0       4.5
         101.0       5.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H12 O2 0.04 ml : 0.5 ml CDCl3
    2-ethylbutyric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.7 B 2.220 C 1.60 D 0.95

         Hz     ppm     Int.
    

       1045.73  11.677     36
        207.90   2.322     47
        207.21   2.314     40
        200.72   2.242    106
        194.23   2.169     80
        187.05   2.089     47
        160.90   1.797     44
        158.76   1.773     30
        156.97   1.753     46
        153.89   1.719     64
        152.95   1.708    129
        150.31   1.679     86
        149.45   1.669    128
        146.97   1.642     94
        145.35   1.623    207
        142.36   1.590    178
        139.71   1.560     60
        137.92   1.540    180
        135.95   1.518    192
        130.57   1.458     82
        129.71   1.449     87
         91.43   1.021    511
         86.39   0.965     48
         84.51   0.944   1000
         76.90   0.859    289
         75.79   0.847    178
    

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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