617-52-7

衣康酸二甲酯(617-52-7)核磁图(¹³CNMR)

产品名称:衣康酸二甲酯

CAS:617-52-7

分子式:C7H10O4

分子量: 158.15

InChI:InChI=1S/C7H10O4/c1-5(7(9)11-3)4-6(8)10-2/h1,4H2,2-3H3

InChIKey: ZWWQRMFIZFPUAA-UHFFFAOYSA-N

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

Mass

MS-NW-0575          
dimethyl methylenesuccinate
C7H10O4             (Mass of molecular ion:    158)

   Source Temperature: 280 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      14.0       1.0
      15.0      61.1
      18.0       2.2
      26.0       1.5
      27.0       7.3
      28.0       3.3
      29.0      13.7
      30.0       1.1
      31.0       3.0
      37.0       1.8
      38.0       5.2
      39.0      32.9
      40.0      23.4
      41.0      28.7
      42.0       3.1
      43.0       3.5
      44.0       1.1
      45.0       7.7
      53.0       4.6
      54.0       4.1
      55.0      24.2
      56.0       2.0
      57.0       1.1
      59.0     100.0
      60.0       2.4
      67.0       9.9
      68.0      17.8
      69.0      38.5
      70.0       2.1
      71.0      17.1
      72.0       2.4
      74.0       1.0
      81.0       1.3
      82.0       4.4
      83.0       9.2
      84.0       1.0
      85.0       1.7
      87.0       1.2
      95.0       3.4
      98.0       6.8
      99.0      45.8
     100.0       3.1
     113.0      18.3
     114.0       1.4
     115.0       1.4
     126.0      44.2
     127.0      63.5
     128.0       5.2
     130.0       7.7
     143.0       5.1
     158.0       5.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₀ O₄	0.047 g : 0.5 ml CDCl₃
dimethyl methylenesuccinate

    Assign.     Shift(ppm)

      A             6.34
      B             5.73
      C             3.773
      D             3.702
      E             3.349

     Hz     ppm     Int.

    567.75   6.340    136
    567.25   6.334    142
    566.81   6.329    143
    514.31   5.743     58
    513.25   5.731    129
    512.19   5.719    130
    337.94   3.774   1000
    331.63   3.703    820
    300.38   3.354    253
    299.56   3.345    264

in CDCl3