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446-52-6

2-氟苯甲醛(446-52-6)核磁图(13CNMR)

产品名称:2-氟苯甲醛

CAS:446-52-6

分子式:C7H5FO

分子量: 124.11

InChI:InChI=1S/C7H5FO/c8-7-4-2-1-3-6(7)5-9/h1-5H

InChIKey: ZWDVQMVZZYIAHO-UHFFFAOYSA-N

Smiles:C(=O)C1=CC=CC=C1F

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    Mass

    MS-NW-6073          
    o-fluorobenzaldehyde
    C7H5FO              (Mass of molecular ion:    124)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          28.0       1.5
          29.0       3.8
          31.0       1.8
          37.0       2.6
          38.0       2.0
          39.0       3.8
          49.0       1.7
          50.0      12.5
          51.0       6.0
          57.0       3.0
          61.0       2.0
          62.0       2.3
          63.0       2.7
          68.0       4.3
          69.0       6.0
          70.0       9.0
          73.0       1.3
          74.0       6.1
          75.0      20.7
          76.0       5.3
          77.0       1.1
          81.0       1.0
          92.0       1.0
          93.0       1.3
          94.0       3.6
          95.0      51.3
          96.0      12.8
         123.0     100.0
         124.0      82.5
         125.0       6.9
    

400 MHz in CDCl3

parameter in CCl4

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    1H NMR 399.65 MHz
    C7 H5 F O 0.05 ml : 0.5 ml CDCl3
    o-fluorobenzaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.351 B 7.880 C 7.612 D 7.269 E 7.170

         Hz     ppm     Int.
    

       4137.11  10.352   1000
       3149.87   7.882    225
       3148.04   7.877    218
       3142.40   7.863    322
       3140.72   7.859    297
       3135.07   7.845    238
       3133.24   7.840    227
       3053.89   7.642    145
       3052.06   7.637    138
       3048.55   7.629    163
       3046.57   7.624    301
       3045.50   7.621    197
       3044.74   7.619    182
       3043.67   7.616    165
       3041.23   7.610    194
       3040.16   7.608    202
       3039.25   7.605    206
       3038.18   7.603    303
       3036.35   7.598    163
       3032.84   7.589    176
       3030.85   7.584    160
       2913.36   7.290    225
       2912.45   7.288    296
       2911.53   7.286    180
       2904.97   7.269    457
       2898.25   7.252    206
       2897.34   7.250    265
       2896.42   7.248    161
       2875.52   7.196    274
       2874.60   7.193    239
       2869.87   7.181     43
       2866.97   7.174    278
       2866.06   7.172    275
       2864.99   7.169    289
       2864.07   7.167    253
       2856.60   7.148    249
       2855.68   7.146    226
          0.00   0.001    178
    

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    1H NMR 300 MHz
    C7 H5 F O 10 wt% in CCl4
    o-fluorobenzaldehyde
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.13 D(B) 7.56 D(C) 7.23 D(D) 7.86 D(X) -9.28 J(A,B) 8.40 J(A,C) 1.00 J(A,D) 0.42 J(A,X) 10.37 J(B,C) 7.38 J(B,D) 1.19 J(B,X) 5.36 J(C,D) 7.76 J(C,X) -0.19 J(D,X) 6.98 D(E) 10.33 SMITH,W.B. ET AL. J.AM.CHEM.SOC. 94, 1959 (1972) F-19 REFERENCE : 1,1,2,2-TETRACHLORO-3,3,4,4-TETRAFLUOROCYCLOBUTANE

         Hz     ppm     Int.
    

       3099.00  10.330   1000
       2365.93   7.886    105
       2364.99   7.883    107
       2358.18   7.861    222
       2350.61   7.835    134
       2279.44   7.598     61
       2278.26   7.594     60
       2273.81   7.579     76
       2272.72   7.576     88
       2272.08   7.574     96
       2270.96   7.570    133
       2269.87   7.566     81
       2266.39   7.555     87
       2265.48   7.552    141
       2264.36   7.548     94
       2263.70   7.546    100
       2262.49   7.542     83
       2258.04   7.527     75
       2257.13   7.524     81
       2176.87   7.256    133
       2175.96   7.253    134
       2169.15   7.230    233
       2168.18   7.227    212
       2161.77   7.206    108
       2160.74   7.202    122
       2148.57   7.162    130
       2147.93   7.160    123
       2140.18   7.134    119
       2138.76   7.129    145
       2137.79   7.126    119
       2129.98   7.100    118
       2129.34   7.098    108
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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