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网站主页CAS数据库列表 3949-36-8更多图谱3-乙酰基羟基香豆素(3949-36-8)质谱(MS)

3-乙酰基羟基香豆素

产品名称 3-乙酰基羟基香豆素

CAS号3949-36-8

分子式C11H8O3

分子量188.18


  • Mass

    MS-IW-1319          
    3-acetylcoumarin
    C11H8O3             (Mass of molecular ion:    188)
    

       Source Temperature: 100 °C
       Sample Temperature:  90 °C
       Direct, 75 eV
    

          39.0       2.3
          43.0      14.4
          50.0       1.0
          51.0       1.9
          62.0       1.9
          63.0       4.9
          75.0       1.6
          77.0       1.0
          89.0       9.3
          90.0       3.0
         101.0       9.4
         102.0       1.0
         118.0       5.5
         145.0      11.0
         146.0       3.7
         173.0     100.0
         174.0      11.1
         175.0       1.2
         188.0      56.7
         189.0       7.5
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C11 H8 O3 0.036 g : 0.5 ml CDCl3
    3-acetylcoumarin
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.513 B 7.67 C 7.67 D 7.38 E 7.36 F 2.729 CONFIRMED BY LAOCN PROGRAM

         Hz     ppm     Int.
    

       3402.59   8.514    191
       3402.22   8.514    196
       3071.66   7.686     68
       3069.95   7.682     76
       3068.24   7.678     73
       3066.04   7.672     34
       3064.45   7.668    122
       3062.99   7.665     64
       3062.38   7.663     94
       3060.67   7.659     85
       3057.13   7.650     77
       3055.54   7.646     40
       2951.66   7.386     99
       2950.93   7.384     78
       2948.00   7.377     81
       2946.90   7.374     57
       2943.73   7.366     50
       2942.75   7.364     75
       2942.02   7.362     66
       2940.80   7.359     87
       2940.19   7.357     81
       2939.45   7.356     84
       2932.98   7.339     53
       2931.88   7.337     48
       1090.58   2.729   1000
    

in CDCl3



KBr disc



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