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

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

¹H NMR	89.56 MHz
C₅ H₆ O₂	0.04 ml : 0.5 ml CDCl₃
vinyl acrylate

    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

¹H NMR	300 MHz
C₅ H₆ O₂	20 wt% in CDCl₃
vinyl acrylate

    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