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3-氟-4-辛氧基苯甲酸

产品名称 3-氟-4-辛氧基苯甲酸

CAS号326-78-3

分子式C15H21FO3

分子量268.32

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  • Mass

    MS-IW-6966          
    3-fluoro-4-(octyloxy)benzoic acid
    C15H21FO3           (Mass of molecular ion:    268)
    

       Source Temperature: 160 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          17.0       1.0
          18.0       5.6
          27.0       6.0
          28.0       4.4
          29.0      14.9
          39.0       5.0
          40.0       1.0
          41.0      36.9
          42.0      12.1
          43.0      55.3
          44.0       2.9
          51.0       1.4
          53.0       2.1
          54.0       2.2
          55.0      33.1
          56.0      31.5
          57.0      58.0
          58.0       2.5
          63.0       1.4
          64.0       1.3
          67.0       2.5
          68.0       3.5
          69.0      21.8
          70.0      49.6
          71.0      35.7
          72.0       1.9
          77.0       1.0
          81.0       1.1
          82.0       9.0
          83.0      38.9
          84.0      22.6
          85.0       2.1
          92.0       1.5
          93.0       1.0
          94.0       1.4
          97.0       4.9
          99.0       1.2
         111.0       3.7
         112.0      50.1
         113.0       5.6
         139.0      23.6
         140.0       2.0
         156.0     100.0
         157.0      55.6
         158.0       4.6
         169.0       2.2
         268.0      33.6
         269.0       6.4
    

400 MHz at 50C


  • 1H NMR 399.65 MHz
    C15 H21 F O3 0.040 g : 0.5 ml CDCl3 at 50C
    3-fluoro-4-(octyloxy)benzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11. B 7.855 C 7.788 D 6.976 E 4.097 F 1.839 G 1.476 J 1.34 K 1.30 L 0.889

         Hz     ppm     Int.
    

       3145.52   7.871    137
       3144.42   7.868    164
       3143.50   7.866    169
       3142.40   7.863    154
       3137.09   7.850    149
       3135.81   7.847    167
       3134.89   7.845    181
       3133.80   7.842    167
       3119.33   7.806    277
       3117.31   7.801    228
       3107.79   7.777    271
       3105.77   7.772    243
       2796.59   6.998    198
       2788.16   6.977    324
       2779.92   6.956    192
       1644.47   4.115    359
       1637.87   4.099    754
       1631.28   4.082    375
        749.70   1.876     82
        742.92   1.859    238
        735.96   1.842    279
        728.09   1.822    260
        721.49   1.806    104
        605.37   1.515     42
        598.77   1.499    122
        597.12   1.495    110
        591.63   1.481    190
        583.39   1.460    159
        576.24   1.442     78
        560.67   1.403     34
        557.93   1.397     41
        557.56   1.396     41
        552.80   1.384    100
        550.96   1.379    105
        546.94   1.369    141
        544.74   1.364    169
        542.36   1.358    193
        541.07   1.354    222
        538.33   1.348    236
        535.76   1.341    264
        533.75   1.336    302
        530.63   1.328    247
        527.34   1.320    315
        521.66   1.306    368
        518.36   1.298    547
        516.71   1.293    494
        512.50   1.283    291
        505.91   1.266     75
        502.06   1.257     34
        501.51   1.255     35
        361.94   0.906    294
        359.92   0.901    200
        358.46   0.897    204
        358.09   0.897    204
        355.16   0.889   1000
        348.02   0.871    354
    

in CDCl3



KBr disc



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