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Back ChemicalBook Home>CAS DataBase List>456-48-4More Spectrum> 3-Fluorobenzaldehyde(456-48-4) 1H NMR

3-Fluorobenzaldehyde(456-48-4) 1H NMR

Molecular FormulaC7H5FO

Molecular Weight124.11

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

InChIKey PIKNVEVCWAAOMJ-UHFFFAOYSA-N

SmilesC(=O)C1=CC=CC(F)=C1


  • Mass

    MS-NW-1490          
    m-fluorobenzaldehyde
    C7H5FO              (Mass of molecular ion:    124)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       2.3
          26.0       1.0
          27.0       1.6
          28.0       3.1
          29.0       6.5
          31.0       3.4
          37.0       5.2
          38.0       4.3
          39.0       6.5
          44.0       1.0
          45.0       1.8
          49.0       3.5
          50.0      23.2
          51.0      11.4
          52.0       1.5
          56.0       1.3
          57.0       6.1
          61.0       3.9
          62.0       4.4
          63.0       5.5
          68.0       7.5
          69.0      11.2
          70.0      16.4
          73.0       2.5
          74.0      11.8
          75.0      36.2
          76.0       5.6
          77.0       2.2
          81.0       1.9
          83.0       1.2
          92.0       1.6
          93.0       2.5
          94.0       8.7
          95.0      95.7
          96.0      25.8
          97.0       2.8
         107.0       2.0
         108.0       1.4
         109.0       5.6
         122.0       1.1
         123.0     100.0
         124.0      93.7
         125.0       8.0
         126.0       1.1
         140.0       7.6
         187.0       1.6
         189.0       1.5
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C7 H5 F O 0.05 ml : 0.5 ml CDCl3
    m-fluorobenzaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.996 B 7.683 C 7.56 D 7.53 E 7.332

         Hz     ppm     Int.
    

       3996.12  10.000   1000
       3994.14   9.995    949
       3076.02   7.697    355
       3074.80   7.694    472
       3073.43   7.691    350
       3068.39   7.678    430
       3067.32   7.676    583
       3065.95   7.672    433
       3025.51   7.571    310
       3024.44   7.568    329
       3023.99   7.567    310
       3023.22   7.565    347
       3022.77   7.564    355
       3021.70   7.561    539
       3016.82   7.549    604
       3015.75   7.546    374
       3014.07   7.542    581
       3013.46   7.541    497
       3008.58   7.529    368
       3005.83   7.522    258
       3000.64   7.509    256
       2939.91   7.357    267
       2938.84   7.354    267
       2937.16   7.350    234
       2936.10   7.347    227
       2933.81   7.341     43
       2931.67   7.336    425
       2930.60   7.333    422
       2928.92   7.329    382
       2927.86   7.327    395
       2925.42   7.320     34
       2923.43   7.315    193
       2922.21   7.312    209
       2920.68   7.309    195
       2919.62   7.306    189
    


  • 1H NMR 89.56 MHz
    C7 H5 F O 0.04 ml : 0.5 ml CDCl3
    m-fluorobenzaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.995 B 7.76 C 7.63 to 7.50 D 7.34

         Hz     ppm     Int.
    

        896.26  10.008    973
        894.29   9.986    898
        712.28   7.954    103
        705.10   7.873    138
        703.56   7.856    151
        702.91   7.849     88
        701.07   7.828     92
        700.42   7.821     91
        694.41   7.754    134
        693.68   7.746    157
        693.16   7.740    124
        692.36   7.731    283
        690.97   7.716    185
        690.53   7.711    181
        687.08   7.672    254
        686.28   7.663    341
        685.84   7.658    487
        684.96   7.649    560
        683.86   7.636   1000
        682.69   7.623    272
        681.81   7.613    235
        681.45   7.609    274
        680.71   7.601    483
        680.05   7.594    297
        679.25   7.585    320
        678.74   7.579    221
        676.83   7.558    381
        676.46   7.554    357
        676.10   7.550    274
        675.73   7.546    267
        675.37   7.541    265
        674.71   7.534    263
        674.05   7.527    263
        673.39   7.519    226
        672.36   7.508    540
        671.48   7.498    653
        670.75   7.490    413
        669.80   7.479    202
        669.43   7.475    185
        668.92   7.469    160
        668.63   7.466    149
        665.70   7.434    399
        665.04   7.426    117
        664.45   7.420    232
        663.65   7.411    526
        661.82   7.390    117
        661.08   7.382    288
        657.50   7.342    383
        655.88   7.324    409
        655.44   7.319    298
        655.08   7.315    267
        653.25   7.294    322
        651.93   7.280    132
        651.42   7.274    105
        649.29   7.250    147
        647.97   7.236    135
        646.95   7.224    139
        645.41   7.207    133
    

in CDCl3



liquid film





3-Fluorobenzaldehyde(456-48-4) 1H NMR Atlas of Related Products

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