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

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

¹H NMR	300 MHz
C₄ H₆ O₂	0.04 ml : 0.5 ml CDCl₃
methyl acrylate

    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

¹H NMR	89.56 MHz
C₄ H₆ O₂	0.04 ml : 0.5 ml CDCl₃
methyl acrylate

    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

liquid film

4880 A,200 M,liquid

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