16807-48-0

脱氢乙酸(16807-48-0)质谱(MS)

产品名称:脱氢乙酸

CAS: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

    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

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