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网站主页CAS数据库列表 7499-60-7更多图谱4-氧代-4-芘-1-基丁酸(7499-60-7)核磁图(1HNMR)

4-氧代-4-芘-1-基丁酸

产品名称 4-氧代-4-芘-1-基丁酸

CAS号7499-60-7

分子式C20H14O3

分子量302.32


  • Mass

    MS-NW-9224          
    gamma-oxo-1-pyrenebutyric acid
    C20H14O3            (Mass of molecular ion:    302)
    

       Source Temperature: 220 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          17.0       2.4
          18.0      13.1
          28.0       1.8
          44.0       1.4
          45.0       1.2
          55.0       1.0
          87.0       2.3
          99.0       1.7
          99.5       1.8
         100.0      15.2
         100.5      18.2
         101.0       4.2
         113.0       2.2
         114.0       1.4
         114.5       5.9
         115.0       1.1
         118.5       1.0
         119.0       1.2
         119.5       1.5
         128.0       1.4
         150.0       1.2
         151.0       2.0
         174.0       1.8
         175.0       1.4
         198.0       2.2
         199.0       3.5
         200.0      22.0
         201.0      60.1
         202.0      13.1
         203.0       1.5
         226.0       1.9
         227.0       1.8
         228.0       1.9
         229.0     100.0
         230.0      18.7
         231.0       2.1
         235.0       1.5
         237.0       1.0
         239.0       4.0
         240.0       2.1
         255.0       1.4
         256.0       3.4
         284.0       5.7
         285.0       1.7
         302.0      37.3
         303.0       8.2
         304.0       1.1
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C20 H14 O3 0.044 g : 0.5 ml DMSO-d6
    gamma-oxo-1-pyrenebutyric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12. B 8.809 C 8.570 D 8.39 E 8.37 F 8.36 G 8.32 J 8.31 K 8.233 L 8.149 M 3.52 N 2.824 ASSIGNED BY H-H AND C-H COSY. THE SIGNAL M INCLUDES H2O.

         Hz     ppm     Int.
    

       3525.63   8.822    390
       3521.24   8.811    204
       3516.36   8.799    404
       3429.44   8.582    398
       3421.63   8.562    433
       3355.47   8.397    612
       3348.39   8.379   1000
       3346.68   8.375    990
       3338.87   8.355    619
       3328.61   8.329    602
       3323.49   8.317    562
       3319.34   8.306    627
       3315.19   8.296    629
       3305.66   8.272    146
       3304.93   8.270    142
       3304.20   8.268    142
       3303.71   8.267    142
       3303.22   8.266    142
       3293.95   8.243    520
       3284.91   8.220    325
       3263.92   8.167    298
       3256.35   8.149    409
       3249.02   8.130    211
       1408.45   3.525    946
       1128.66   2.825    725
    

in DMSO-d6



KBr disc



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