图谱信息 供应商 相关产品
网站主页CAS数据库列表 617-54-9更多图谱柠康酸二甲酯(617-54-9)红外图谱(IR2)

柠康酸二甲酯

产品名称 柠康酸二甲酯

CAS号617-54-9

分子式C7H10O4

分子量158.15

展开


  • Mass

    MS-NW-2212          
    dimethyl citraconate
    C7H10O4             (Mass of molecular ion:    158)
    

       Source Temperature: 270 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0      23.6
          27.0       4.6
          28.0       1.6
          29.0      14.5
          31.0       2.9
          32.0       1.0
          37.0       1.2
          38.0       3.3
          39.0      20.4
          40.0       9.5
          41.0       3.8
          43.0       2.2
          53.0       3.4
          55.0       4.4
          59.0      36.3
          67.0       4.5
          68.0      10.7
          69.0       7.4
          71.0       1.5
          85.0       1.7
          96.0       1.0
          98.0       3.6
          99.0      22.0
         100.0       2.0
         126.0       9.5
         127.0     100.0
         128.0       8.5
         143.0       1.5
         158.0       2.6
    

parameter in CCl4

90 MHz in CDCl3


  • 1H NMR 300 MHz
    C7 H10 O4 10 % in CCl4
    dimethyl citraconate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 5.77 D(B) 2.03 J(A,B) -1.64 D(C) 3.72 D(D) 3.68 FRASER,R.R. & MCGREER,D.E. CAN.J.CHEM. 39, 505 (1961) D(C) AND D(D) MAY BE REVERSED.

         Hz     ppm     Int.
    

       1733.48   5.778     50
       1731.82   5.773    134
       1730.21   5.767    134
       1728.59   5.762     50
       1115.99   3.720   1000
       1104.04   3.680   1000
        609.81   2.033    526
        608.23   2.027    525
    


  • 1H NMR 89.56 MHz
    C7 H10 O4 0.04 ml : 0.5 ml CDCl3
    dimethyl citraconate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.867 B *1 3.827 C *1 3.724 D 2.064 J(A,D)=-1.6HZ

         Hz     ppm     Int.
    

        528.00   5.896     23
        526.38   5.878     78
        524.69   5.859     80
        523.06   5.841     25
        342.75   3.828   1000
        333.56   3.725    720
        185.63   2.073    341
        184.00   2.055    340
    

in CDCl3



CCl4 solution



liquid film