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400-74-8

2-氟-5-硝基三氟甲苯(400-74-8)核磁图(13CNMR)

分子式:C7H3F4NO2

分子量: 209.1

InChI:InChI=1S/C7H3F4NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H

InChIKey: DNTHMWUMRGOJRY-UHFFFAOYSA-N

Smiles:C1(F)=CC=C([N+]([O-])=O)C=C1C(F)(F)F

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    Mass

    MS-IW-9544          
    alpha,alpha,alpha,2-tetrafluoro-5-nitrotoluene
    C7H3F4NO2           (Mass of molecular ion:    209)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          28.0       4.0
          30.0      25.0
          31.0       3.5
          37.0       1.2
          38.0       1.0
          50.0       5.3
          51.0       3.1
          56.0       1.3
          57.0       3.0
          61.0       1.7
          62.0       2.5
          63.0       6.5
          68.0       4.2
          69.0      10.9
          73.0       1.2
          74.0       5.4
          75.0      13.7
          81.0       3.0
          82.0       1.0
          92.0       1.6
          93.0       7.7
          94.0       7.2
          95.0       1.0
          99.0       3.4
         101.0      12.5
         112.0       2.9
         113.0      19.4
         114.0       1.2
         123.0       1.0
         125.0       2.5
         131.0       1.1
         132.0       1.3
         137.0       1.3
         143.0      17.0
         144.0       8.2
         151.0      15.1
         152.0       1.0
         162.0       1.3
         163.0     100.0
         164.0       7.7
         179.0      18.3
         180.0       1.4
         190.0      12.5
         191.0       1.0
         193.0       3.6
         209.0      50.3
         210.0       4.3
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H3 F4 N O2 0.05 ml : 0.5 ml CDCl3
    alpha,alpha,alpha,2-tetrafluoro-5-nitrotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.570 B 8.524 C 7.472

         Hz     ppm     Int.
    

       3429.57   8.582    541
       3426.76   8.575    681
       3423.58   8.567    543
       3420.78   8.560    641
       3414.31   8.544    409
       3410.40   8.534    487
       3407.23   8.526    332
       3405.40   8.521    419
       3401.49   8.512    470
       3398.44   8.504    297
       2995.12   7.495    541
       2986.08   7.472   1000
       2981.32   7.460     62
       2977.05   7.450    503
    

in CDCl3

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liquid film

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