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返回ChemicalBook首頁(yè)>CAS數(shù)據(jù)庫(kù)列表>121-01-7更多圖譜> 2-氨基-5-硝基三氟甲苯(121-01-7)紅外圖譜(IR1)

121-01-7

2-氨基-5-硝基三氟甲苯(121-01-7)紅外圖譜(IR1)

產(chǎn)品名稱:2-氨基-5-硝基三氟甲苯

CAS:121-01-7

分子式:C7H5F3N2O2

分子量: 206.12

InChI:InChI=1S/C7H5F3N2O2/c8-7(9,10)5-3-4(12(13)14)1-2-6(5)11/h1-3H,11H2

InChIKey: HOTZLWVITTVZGY-UHFFFAOYSA-N

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

  • 圖譜
    Mass

    MS-NW-2254          
    4-nitro-2-(trifluoromethyl)aniline
    C7H5F3N2O2          (Mass of molecular ion:    206)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       2.5
          28.0       4.0
          30.0       7.5
          31.0       1.4
          37.0       1.7
          38.0       3.2
          39.0       3.8
          40.0       1.1
          41.0       4.5
          44.0       1.6
          46.0       2.9
          50.0       2.4
          51.0       3.6
          52.0       8.8
          53.0       2.1
          54.0       1.1
          57.0       1.8
          61.0       2.2
          62.0       4.5
          63.0      15.2
          64.0       4.3
          65.0       3.6
          66.0       4.6
          69.0       2.8
          70.0       1.4
          74.0       1.3
          75.0       5.4
          76.0       1.4
          77.0       1.7
          78.0       3.6
          81.0       2.3
          83.0       4.7
          87.0       1.3
          88.0       2.6
          89.0       2.5
          90.0       4.7
          91.0       3.4
          93.0       1.0
          95.0       8.0
          96.0       1.1
          99.0       1.2
         100.0       2.1
         101.0       4.2
         102.0       1.3
         105.0       1.4
         108.0       2.7
         109.0       1.4
         110.0       1.2
         112.0       2.0
         113.0      16.3
         114.0       4.8
         115.0       2.2
         120.0      18.4
         121.0       2.2
         128.0      20.0
         129.0       2.2
         132.0       1.9
         133.0      10.5
         134.0       1.0
         139.0       3.1
         140.0      22.7
         141.0       4.6
         156.0      18.7
         157.0       1.6
         159.0       1.5
         160.0      45.7
         161.0       3.9
         176.0      29.5
         177.0       2.5
         186.0       1.4
         187.0       9.6
         190.0       5.2
         206.0     100.0
         207.0       8.5
    

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C7 H5 F3 N2 O2 0.011 g : 0.5 ml CDCl3
    4-nitro-2-(trifluoromethyl)aniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.396 B 8.181 C 6.770 D 4.9 J(A,B)=2.6HZ. J(B,C)=9.0HZ.

         Hz     ppm     Int.
    

        753.38   8.413    752
        750.88   8.385   1000
        748.56   8.359     98
        748.00   8.352     78
        747.38   8.346     53
        738.63   8.248    544
        736.00   8.218    398
        729.75   8.149    586
        727.13   8.119    483
        725.13   8.097     63
        610.63   6.819    937
        608.38   6.793     92
        601.44   6.716    818
        599.00   6.689     59
        439.06   4.903    305
    

in CDCl3

  • 圖譜

CCl4 solution

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KBr disc

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nujol mull

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