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网站主页CAS数据库列表 3443-45-6更多图谱1-芘丁酸(3443-45-6)核磁图(1HNMR)

1-芘丁酸

产品名称 1-芘丁酸

CAS号3443-45-6

分子式C20H16O2

分子量288.34

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  • Mass

    MS-NW-9506          
    1-pyrenebutyric acid
    C20H16O2            (Mass of molecular ion:    288)
    

       Source Temperature: 180 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          18.0       3.9
          28.0       1.3
          93.5       1.2
          94.5       5.3
          95.0       1.0
         101.0       1.1
         106.5       2.5
         107.0       1.0
         107.5       3.3
         108.0       1.2
         112.0       1.1
         113.0       3.0
         113.5       1.1
         118.5       1.8
         119.0       1.7
         119.5       3.3
         120.0       2.9
         121.0       1.3
         144.0       1.5
         187.0       1.2
         189.0       4.8
         200.0       1.4
         202.0       2.0
         211.0       1.1
         213.0       7.6
         214.0       4.4
         215.0     100.0
         216.0      21.2
         217.0       2.3
         221.0       1.2
         226.0       5.9
         227.0       7.2
         228.0       7.1
         229.0       1.7
         237.0       1.5
         238.0       1.0
         239.0       6.1
         240.0       2.7
         241.0       6.3
         242.0      10.0
         243.0       2.8
         270.0       1.4
         288.0      52.3
         289.0      11.5
         290.0       1.6
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C20 H16 O2 0.023 g : 0.5 ml DMSO-d6
    1-pyrenebutyric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.2 B 8.414 C *1 8.29 D *1 8.28 E 8.233 F 8.229 G 8.146 J 8.138 K 8.073 L 7.947 M 3.359 N 2.420 P 2.031 ASSIGNED BY H-H AND C-H COSY.

         Hz     ppm     Int.
    

       3368.16   8.428    314
       3361.82   8.412     32
       3358.89   8.405    404
       3323.73   8.317     30
       3317.63   8.302    255
       3313.23   8.291    274
       3312.26   8.288    276
       3311.04   8.285    248
       3310.06   8.283    311
       3305.66   8.272    355
       3304.44   8.269    239
       3301.27   8.261     40
       3300.54   8.259     41
       3298.34   8.254     52
       3297.12   8.251     57
       3294.68   8.244    393
       3292.97   8.240    450
       3289.55   8.232     54
       3286.87   8.225    426
       3283.69   8.217    345
       3265.63   8.172     38
       3263.92   8.167    105
       3262.21   8.163     30
       3261.72   8.162     32
       3260.99   8.160     34
       3258.06   8.153     56
       3254.88   8.145    992
       3253.42   8.141   1000
       3249.76   8.132     32
       3244.38   8.119    104
       3233.89   8.092    352
       3229.74   8.082     34
       3228.52   8.079     33
       3226.07   8.073    546
       3218.51   8.054    290
       3183.11   7.965     31
       3179.93   7.957    416
       3176.27   7.948     31
       3174.80   7.944     35
       3174.32   7.943     37
       3172.12   7.938    376
       1367.19   3.421     69
       1356.45   3.395     47
       1355.47   3.392     51
       1354.74   3.390     51
       1354.25   3.389     54
       1353.76   3.388     58
       1350.34   3.379    213
       1347.17   3.371     74
       1346.68   3.370     78
       1342.77   3.360    245
       1341.06   3.356    197
       1338.38   3.349     72
       1337.65   3.348     70
       1334.72   3.340    208
        974.61   2.439    223
        970.70   2.429     67
        967.29   2.421    517
        960.21   2.403    268
        826.66   2.069     64
        825.20   2.065     40
        824.22   2.063     32
        823.49   2.061     35
        819.34   2.051    163
        817.14   2.045    100
        815.67   2.041     68
        811.77   2.032    196
        806.15   2.018     85
        803.96   2.012    154
        798.34   1.998     30
        796.63   1.994     53
    

in DMSO-d6



KBr disc



nujol mull