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2177-18-6

醋酸乙烯酯(2177-18-6)Raman光谱

产品名称:醋酸乙烯酯

CAS:2177-18-6

分子式:C5H6O2

分子量: 98.1

InChI:InChI=1S/C5H6O2/c1-3-5(6)7-4-2/h3-4H,1-2H2

InChIKey: BLCTWBJQROOONQ-UHFFFAOYSA-N

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

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    Mass

    MS-NW-4201          
    vinyl acrylate
    C5H6O2              (Mass of molecular ion:     98)
    

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

          14.0       1.1
          15.0       3.4
          26.0       5.8
          27.0      41.9
          28.0       1.1
          29.0       1.6
          42.0       2.0
          43.0       6.3
          44.0       2.4
          55.0     100.0
          56.0       3.2
          70.0       2.4
          98.0       3.2
    

90 MHz in CDCl3

parameter in CDCl3

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    1H NMR 89.56 MHz
    C5 H6 O2 0.04 ml : 0.5 ml CDCl3
    vinyl acrylate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.347 B 6.502 C 6.19 D 5.953 E 4.958 F 4.625 J(A,E)=13.9HZ. J(A,F)=6.3HZ. J(B,C)=16.2HZ. J(B,D)=2.9HZ. J(C,D)=10.0HZ. J(E,F)=1.6HZ.

         Hz     ppm     Int.
    

        668.69   7.467    546
        662.38   7.396    581
        654.75   7.311    621
        648.44   7.241    645
        595.69   6.652    285
        592.81   6.620    303
        579.50   6.471    761
        576.63   6.439    847
        565.69   6.317     82
        563.94   6.297    588
        553.94   6.186   1000
        547.75   6.117     39
        537.75   6.005    651
        536.75   5.994    799
        533.88   5.962    771
        526.75   5.882    327
        523.88   5.850    200
        451.44   5.041    593
        449.81   5.023    636
        437.50   4.885    504
        435.88   4.867    567
        418.13   4.669    571
        416.50   4.651    549
        411.81   4.599    555
        410.19   4.581    501
    

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    1H NMR 300 MHz
    C5 H6 O2 20 wt% in CDCl3
    vinyl acrylate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 4.62 D(B) 4.96 D(C) 7.39 J(A,B) -1.64 J(A,C) 6.37 J(B,C) 14.16 D(D) 6.17 D(E) 5.84 D(F) 6.44 J(D,E) 10.8 J(D,F) 17.7 J(E,F) 1.4 BRUEGEL,W. HANDBOOK OF NMR SPECTRAL PARAMETERS 40.2.3.11 & 40.2.9.17

         Hz     ppm     Int.
    

       2227.34   7.424    741
       2221.00   7.403    754
       2213.19   7.377    772
       2206.85   7.356    782
       1942.55   6.475    622
       1941.05   6.470    641
       1924.90   6.416    970
       1923.40   6.411    977
       1864.50   6.215    845
       1853.82   6.179   1000
       1846.88   6.156    514
       1836.17   6.121    684
       1757.83   5.859    893
       1756.31   5.854    884
       1747.12   5.824    725
       1745.60   5.819    708
       1495.85   4.986    801
       1494.22   4.981    823
       1481.67   4.939    770
       1480.06   4.934    795
       1389.99   4.633    817
       1388.36   4.628    798
       1383.63   4.612    809
       1382.00   4.607    782
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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