10420-33-4

乙酰丁二酸二甲酯(10420-33-4)红外图谱(IR1)

产品名称:乙酰丁二酸二甲酯

CAS:10420-33-4

分子式:C8H12O5

分子量: 188.18

InChI:InChI=1S/C8H12O5/c1-5(9)6(8(11)13-3)4-7(10)12-2/h6H,4H2,1-3H3

InChIKey: XREKLQOUFWBSFH-UHFFFAOYSA-N

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

Mass

MS-IW-2184          
dimethyl acetylsuccinate
C8H12O5             (Mass of molecular ion:    188)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0      14.9
      26.0       1.8
      27.0       8.7
      28.0       2.4
      29.0       2.9
      31.0       2.6
      39.0       1.7
      41.0       1.9
      42.0       4.6
      43.0     100.0
      44.0       3.7
      45.0       2.4
      53.0       1.9
      54.0       1.4
      55.0      48.2
      56.0       2.2
      58.0       2.2
      59.0      12.8
      69.0       1.8
      75.0       1.5
      82.0       1.9
      85.0       4.5
      86.0       4.7
      87.0      20.4
      88.0       1.0
      97.0      13.0
      98.0       1.6
      99.0       2.2
     113.0      15.6
     114.0      81.0
     115.0      13.0
     116.0       1.2
     124.0       4.9
     125.0       4.4
     129.0      31.5
     130.0       2.2
     145.0       1.6
     146.0      53.2
     147.0       3.7
     156.0       3.3
     157.0       9.5
     188.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₂ O₅	0.05 ml : 0.5 ml CDCl₃
dimethyl acetylsuccinate

    Assign.     Shift(ppm)

      A             4.019
      B             3.761
      C             3.676
      D     *1      2.957
      E     *1      2.840
      F             2.353
     
     J(A,D)=8.1HZ
     J(A,E)=6.4HZ
     J(D,E)=-17.6HZ

     Hz     ppm     Int.

   1613.77   4.038     97
   1607.30   4.022    114
   1605.83   4.019    119
   1599.24   4.002    105
   1503.66   3.763   1000
   1503.05   3.761    949
   1469.60   3.678    978
   1197.27   2.996     78
   1189.21   2.976     73
   1179.69   2.952    145
   1171.63   2.932    145
   1144.41   2.864    144
   1138.06   2.848    144
   1126.95   2.820     78
   1120.48   2.804     81
    940.67   2.354    999

in CDCl3