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384-22-5

2-硝基三氟甲苯(384-22-5)红外图谱(IR2)

产品名称:2-硝基三氟甲苯

CAS:384-22-5

分子式:C7H4F3NO2

分子量: 191.11

InChI:InChI=1S/C7H4F3NO2/c8-7(9,10)5-3-1-2-4-6(5)11(12)13/h1-4H

InChIKey: NDZJSUCUYPZXPR-UHFFFAOYSA-N

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

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    Mass

    MS-NW-6910          
    alpha,alpha,alpha-trifluoro-o-nitrotoluene
    C7H4F3NO2           (Mass of molecular ion:    191)
    

       Source Temperature: 280 °C
       Sample Temperature: 200 °C
       Reservoir, 75 eV
    

          27.0       1.3
          30.0      28.3
          31.0       2.0
          37.0       1.8
          38.0       2.5
          39.0       3.5
          49.0       1.0
          50.0      11.3
          51.0       6.3
          57.0       4.2
          61.0       1.1
          62.0       1.6
          63.0       3.1
          68.0       1.1
          69.0       7.0
          73.0       1.2
          74.0       5.7
          75.0      19.2
          76.0       5.3
          78.0       1.5
          81.0       1.9
          83.0       3.9
          93.0       1.3
          94.0       2.5
          95.0      29.3
          96.0       2.1
          99.0       3.7
         100.0       1.1
         107.0       1.1
         113.0       5.4
         114.0       2.1
         119.0       3.5
         123.0       1.1
         125.0      13.5
         126.0       2.7
         132.0       1.1
         133.0      19.0
         134.0       1.6
         142.0       1.5
         143.0       1.8
         144.0       1.1
         145.0     100.0
         146.0       7.6
         149.0       1.2
         161.0      12.0
         162.0       1.1
         172.0       3.6
         175.0       1.3
         191.0      33.5
         192.0       3.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H4 F3 N O2 0.037 g : 0.5 ml CDCl3
    alpha,alpha,alpha-trifluoro-o-nitrotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.893 B 7.850 C 7.75

         Hz     ppm     Int.
    

       3163.94   7.917     42
       3162.35   7.913     32
       3159.67   7.907    205
       3156.49   7.899    248
       3154.54   7.894    252
       3153.56   7.891    162
       3152.59   7.889    144
       3150.27   7.883    285
       3146.24   7.873     91
       3145.02   7.870     56
       3142.58   7.864    219
       3140.99   7.860    100
       3140.01   7.857    142
       3138.67   7.854    280
       3136.60   7.849    278
       3135.25   7.845    100
       3133.18   7.840    326
       3130.49   7.834     44
       3129.76   7.832     54
       3128.66   7.829     84
       3111.33   7.786     32
       3108.15   7.778    134
       3107.06   7.775     99
       3103.76   7.767   1000
       3100.46   7.758    475
       3099.61   7.756    381
       3098.02   7.752    542
       3096.92   7.750    307
       3094.24   7.743    861
       3090.33   7.733     74
       3089.36   7.731     62
       3088.75   7.729     43
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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