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446-51-5

2-氟苄醇(446-51-5)核磁图(1HNMR)

产品名称:2-氟苄醇

CAS:446-51-5

分子式:C7H7FO

分子量: 126.13

InChI:InChI=1S/C7H7FO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2

InChIKey: QEHXDOJPVIHUDO-UHFFFAOYSA-N

Smiles:C1(CO)=CC=CC=C1F

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    Mass

    MS-NW-5493          
    o-fluorobenzyl alcohol
    C7H7FO              (Mass of molecular ion:    126)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          27.0       2.9
          28.0       2.1
          29.0       5.9
          31.0       6.5
          37.0       2.2
          38.0       3.3
          39.0       7.0
          49.0       1.5
          50.0      11.0
          51.0      19.4
          52.0       3.3
          53.0       2.6
          56.0       1.2
          57.0       6.7
          59.0       1.3
          61.0       2.3
          62.0       3.8
          62.5       3.5
          63.0       5.7
          68.0       2.8
          69.0       4.1
          70.0       5.4
          71.0       1.1
          73.0       1.0
          74.0       4.6
          75.0      11.4
          76.0       3.2
          77.0      45.2
          78.0       9.2
          79.0       5.3
          81.0       3.0
          82.0       1.0
          83.0      10.4
          89.0       1.6
          94.0       1.8
          95.0      17.5
          96.0      11.4
          97.0      77.4
          98.0       6.5
         105.0      60.9
         106.0      11.5
         107.0       9.4
         108.0       5.7
         109.0      27.9
         110.0       2.9
         123.0       6.4
         124.0       1.2
         125.0      52.8
         126.0     100.0
         127.0       7.7
    

90 MHz in CDCl3

400 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H7 F O 0.04 ml : 0.5 ml CDCl3
    o-fluorobenzyl alcohol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.52 to 6.88 B 4.695 C 2.46

         Hz     ppm     Int.
    

        667.75   7.456     42
        662.44   7.397     59
        661.75   7.389     61
        660.88   7.380     67
        660.19   7.372     97
        659.56   7.365     69
        656.31   7.329     40
        655.81   7.323     56
        655.25   7.317     37
        654.19   7.305     93
        653.38   7.296     93
        652.75   7.289     78
        650.38   7.262     37
        649.13   7.248     66
        648.50   7.241     77
        646.81   7.223    121
        644.50   7.197     63
        643.00   7.180     94
        642.19   7.171    144
        641.63   7.165    131
        640.56   7.153    142
        639.19   7.138     66
        637.13   7.115     85
        636.00   7.102    168
        635.31   7.094    148
        634.25   7.082     85
        629.38   7.028     63
        626.88   7.000    125
        624.75   6.976     89
        617.81   6.899     30
        617.50   6.895     31
        420.50   4.696    440
        220.56   2.463   1000
    

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    1H NMR 399.65 MHz
    C7 H7 F O 0.05 ml : 0.5 ml CDCl3
    o-fluorobenzyl alcohol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.327 B 7.203 C 7.064 D 6.975 E 4.618 F 3.47

         Hz     ppm     Int.
    

       2936.77   7.349    140
       2936.04   7.347    126
       2935.30   7.345    146
       2934.94   7.344    143
       2929.57   7.331    264
       2929.20   7.330    264
       2928.47   7.328    234
       2927.73   7.326    273
       2927.37   7.325    263
       2924.32   7.318     31
       2921.75   7.311    147
       2920.90   7.309    126
       2920.17   7.307    150
       2890.87   7.234     94
       2889.04   7.229     94
       2883.42   7.215    192
       2881.59   7.211    143
       2881.23   7.210    140
       2878.05   7.202    148
       2877.69   7.201    150
       2876.83   7.199    128
       2875.37   7.195    202
       2873.41   7.190    123
       2869.87   7.181    126
       2868.04   7.177    111
       2830.69   7.083    258
       2829.47   7.080    273
       2823.24   7.065    386
       2822.02   7.062    400
       2818.97   7.054     31
       2817.87   7.051     32
       2815.67   7.046    176
       2814.45   7.043    175
       2796.39   6.998    226
       2795.41   6.995    216
       2788.21   6.977    201
       2786.38   6.973    252
       2785.16   6.969    217
       2777.95   6.951    175
       2776.98   6.949    171
       1861.57   4.659     30
       1860.11   4.655     34
       1858.28   4.650     40
       1856.32   4.645     47
       1855.22   4.643     52
       1854.37   4.640     55
       1845.58   4.618   1000
       1385.25   3.467    100
    

in CDCl3

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liquid film

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