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1195-45-5

异氰酸对氟苯基酯(1195-45-5)质谱(MS)

分子式:C7H4FNO

分子量: 137.11

InChI:InChI=1S/C7H4FNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H

InChIKey: DSVGFKBFFICWLZ-UHFFFAOYSA-N

Smiles:C1(F)=CC=C(N=C=O)C=C1

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    Mass

    MS-NW-7126          
    p-fluorophenyl isocyanate
    C7H4FNO             (Mass of molecular ion:    137)
    

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

          28.0       2.2
          31.0       6.5
          37.0       2.8
          38.0       3.4
          39.0       1.8
          50.0       3.1
          51.0       1.8
          52.0       2.4
          54.5       2.6
          56.0       3.9
          57.0       6.7
          58.0       1.8
          61.0       2.5
          62.0       5.1
          63.0       4.9
          64.0       2.2
          68.0       1.0
          68.5       4.3
          69.0       1.6
          74.0       1.3
          75.0       2.0
          81.0       5.4
          82.0      25.1
          83.0       2.7
          89.0       9.8
          90.0       1.1
         108.0       4.2
         109.0      48.8
         110.0       4.0
         137.0     100.0
         138.0       7.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H4 F N O 0.04 ml : 0.5 ml CDCl3
    p-fluorophenyl isocyanate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.03

         Hz     ppm     Int.
    

        635.69   7.098     31
        634.94   7.090     41
        634.31   7.083     45
        631.38   7.050   1000
        629.38   7.028     73
        628.69   7.020     55
        627.75   7.010     56
        625.75   6.987    375
        624.19   6.970    357
        621.25   6.937     32
        620.69   6.931     35
        619.31   6.916     22
        618.44   6.906     31
        615.63   6.874     26
        614.94   6.867     25
        614.13   6.858     22
    

in CDCl3

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liquid film

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