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96-33-3

丙烯酸甲酯(96-33-3)Raman光谱

产品名称:丙烯酸甲酯

CAS:96-33-3

分子式:C4H6O2

分子量: 86.09

InChI:InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3

InChIKey: BAPJBEWLBFYGME-UHFFFAOYSA-N

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

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    Mass

    MS-NW-4186          
    methyl acrylate
    C4H6O2              (Mass of molecular ion:     86)
    

       Source Temperature: 230 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0      13.2
          25.0       1.5
          26.0       8.4
          27.0      44.8
          28.0       1.7
          29.0       3.8
          31.0       4.9
          39.0       1.0
          41.0       1.0
          42.0       9.2
          43.0       3.3
          44.0       1.1
          45.0       1.1
          53.0       1.8
          54.0       1.1
          55.0     100.0
          56.0       4.0
          57.0       1.1
          58.0       8.8
          59.0       4.6
          68.0       2.2
          85.0      12.6
          86.0       2.0
    

parameter in CDCl3

90 MHz in CDCl3

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    1H NMR 300 MHz
    C4 H6 O2 0.04 ml : 0.5 ml CDCl3
    methyl acrylate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 6.402 D(B) 6.128 D(C) 5.824 J(A,B) 17.4 J(A,C) 1.4 J(B,C) 10.5 D(D) 3.759

         Hz     ppm     Int.
    

       1930.97   6.437     69
       1929.45   6.431     71
       1913.60   6.379    106
       1912.11   6.374    107
       1851.68   6.172     92
       1841.27   6.138    110
       1834.33   6.114     57
       1823.92   6.080     76
       1752.86   5.843     99
       1751.36   5.838     98
       1742.45   5.808     79
       1740.95   5.803     77
       1127.69   3.759   1000
    

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    1H NMR 89.56 MHz
    C4 H6 O2 0.04 ml : 0.5 ml CDCl3
    methyl acrylate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.402 B 6.128 C 5.824 D 3.759 J(A,B)=17.4HZ. J(A,C)=1.4HZ. J(B,C)=10.5HZ. CALCULATED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

        586.06   6.544     33
        583.31   6.514     40
        569.25   6.357    126
        566.50   6.326    133
        560.44   6.258     99
        550.69   6.149    143
        533.88   5.962     68
        526.75   5.882    108
        523.94   5.851    102
        517.00   5.773     57
        514.25   5.742     48
        336.69   3.760   1000
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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