446-52-6

2-氟苯甲醛(446-52-6)Raman光谱

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

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

¹H NMR	399.65 MHz
C₇ H₅ F O	0.05 ml : 0.5 ml CDCl₃
o-fluorobenzaldehyde

    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

¹H NMR	300 MHz
C₇ H₅ F O	10 wt% in CCl₄
o-fluorobenzaldehyde

    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