图谱信息 供应商 相关产品
网站主页CAS数据库列表 16807-48-0更多图谱脱氢乙酸(16807-48-0)质谱(MS)

脱氢乙酸

产品名称 脱氢乙酸

CAS号16807-48-0

分子式C8H8O4

分子量168.15


  • Mass

    MS-NW-4803          
    3-acetyl-6-methyl-2H-pyran-2,4(3H)-dione
    C8H8O4              (Mass of molecular ion:    168)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       7.1
          26.0       1.6
          27.0       4.5
          28.0       3.9
          29.0       2.8
          37.0       1.6
          38.0       2.5
          39.0       6.7
          40.0       1.5
          41.0       2.6
          42.0       4.5
          43.0     100.0
          44.0       2.6
          50.0       1.1
          51.0       1.4
          53.0       3.7
          54.0       1.4
          55.0       5.6
          66.0       1.2
          67.0       2.8
          69.0      17.5
          70.0       1.5
          84.0      10.3
          85.0      48.9
          86.0       2.1
          97.0       1.8
          98.0      12.2
         111.0       9.6
         125.0      19.8
         126.0       2.9
         140.0       3.6
         153.0      41.1
         154.0       3.2
         168.0      59.4
         169.0       5.6
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C8 H8 O4 0.051 g : 0.5 ml CDCl3
    3-acetyl-6-methyl-2H-pyran-2,4(3H)-dione
    ChemicalStructure
        Assign.     Shift(ppm)
    A 16.69 B 5.950 C 2.666 D 2.284 J(B,D)=-0.8HZ

         Hz     ppm     Int.
    

       1494.86  16.692    303
        533.35   5.956    162
        532.58   5.947    166
        238.87   2.668   1000
        235.90   2.634     33
        205.01   2.290    615
        204.24   2.281    594
    

in CDCl3



KBr disc



nujol mull