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Back ChemicalBook Home>CAS DataBase List>403-54-3More Spectrum> 3-Fluorobenzonitrile(403-54-3) 13C NMR

3-Fluorobenzonitrile(403-54-3) 13C NMR

Molecular FormulaC7H4FN

Molecular Weight121.11

InChIInChI=1S/C7H4FN/c8-7-3-1-2-6(4-7)5-9/h1-4H

InChIKey JZTPKAROPNTQQV-UHFFFAOYSA-N

SmilesC(#N)C1=CC=CC(F)=C1


  • Mass

    MS-NW-6452          
    m-fluorobenzonitrile
    C7H4FN              (Mass of molecular ion:    121)
    

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

          31.0       2.8
          37.0       2.5
          38.0       1.7
          39.0       3.0
          44.0       1.0
          46.0       1.1
          49.0       1.4
          50.0       7.3
          51.0       2.4
          57.0       4.0
          60.5       1.7
          61.0       1.5
          62.0       1.0
          63.0       1.6
          64.0       1.0
          68.0       3.1
          69.0       2.4
          70.0       4.9
          73.0       1.4
          74.0       2.3
          75.0       5.3
          76.0       3.0
          81.0       1.4
          88.0       1.0
          93.0       1.9
          94.0      25.9
          95.0       5.7
          99.0       1.0
         100.0       2.2
         101.0       1.3
         120.0       1.4
         121.0     100.0
         122.0       8.5
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C7 H4 F N 0.05 ml : 0.5 ml CDCl3
    m-fluorobenzonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.52 to 7.49 B 7.36 C 7.35

         Hz     ppm     Int.
    

       3013.31   7.540    117
       3012.21   7.538    120
       3008.18   7.528    121
       3007.08   7.525    145
       3005.62   7.521    333
       3004.76   7.519    349
       3000.49   7.508    381
       2999.88   7.507    403
       2998.41   7.503    430
       2997.31   7.500    527
       2996.34   7.498    666
       2994.75   7.494    888
       2993.90   7.492   1000
       2988.65   7.479    224
       2987.18   7.475    286
       2985.72   7.471    136
       2949.71   7.381    267
       2948.12   7.377    789
       2946.90   7.374    767
       2943.12   7.365    166
       2940.80   7.359    474
       2939.70   7.356    794
       2938.60   7.353    807
       2937.26   7.350    672
       2934.94   7.344    196
       2933.35   7.340    272
       2930.54   7.333    332
       2927.86   7.327    240
    

in CDCl3



liquid film





3-Fluorobenzonitrile(403-54-3) 13C NMR Atlas of Related Products

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