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5837-78-5

惕各酸乙酯(5837-78-5)红外图谱(IR1)

产品名称:惕各酸乙酯

CAS:5837-78-5

分子式:C7H12O2

分子量: 128.17

InChI:InChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3/b6-4+

InChIKey: OAPHLAAOJMTMLY-GQCTYLIASA-N

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

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    Mass

    MS-NW-4693          
    ethyl (E)-2-methyl-2-butenoate
    C7H12O2             (Mass of molecular ion:    128)
    

       Source Temperature: 260 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          14.0       1.9
          15.0       1.6
          18.0       1.6
          26.0       3.0
          27.0      23.8
          28.0      15.5
          29.0      38.3
          38.0       1.0
          39.0      14.1
          40.0       1.6
          41.0       5.2
          43.0       5.4
          45.0       5.5
          50.0       1.9
          51.0       2.8
          52.0       1.5
          53.0       9.8
          54.0      11.8
          55.0     100.0
          56.0       7.8
          57.0       1.3
          69.0       2.3
          73.0       1.5
          81.0       1.3
          82.0      12.0
          83.0      84.4
          84.0       5.7
          85.0      10.5
          99.0       2.6
         100.0      28.5
         101.0       1.8
         113.0      22.3
         114.0       1.7
         128.0      19.5
         129.0       1.6
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H12 O2 0.04 ml : 0.5 ml CDCl3
    ethyl (E)-2-methyl-2-butenoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.289 B 1.79 C 1.823 D 4.180 E 6.85 J(B,C)=1.1HZ

         Hz     ppm     Int.
    

        616.69   6.886     22
        615.81   6.876     26
        610.19   6.814     29
        385.50   4.305     41
        378.25   4.224    156
        371.13   4.144    164
        364.13   4.066     49
        166.50   1.860     34
        165.38   1.847    124
        164.25   1.834    178
        163.25   1.823   1000
        157.75   1.762     60
        156.69   1.750    142
        155.56   1.737    102
        154.44   1.725     31
        122.38   1.367    172
        115.31   1.288    382
        108.13   1.208    151
    

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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