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

¹³CNMR

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

    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

nujol mull

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