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返回ChemicalBook首頁(yè)>CAS數(shù)據(jù)庫(kù)列表>400-98-6更多圖譜> 4-氨基-3-硝基三氟甲苯(400-98-6)紅外圖譜(IR1)

400-98-6

4-氨基-3-硝基三氟甲苯(400-98-6)紅外圖譜(IR1)

產(chǎn)品名稱:4-氨基-3-硝基三氟甲苯

CAS:400-98-6

分子式:C7H5F3N2O2

分子量: 206.12

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

InChIKey: ATXBGHLILIABGX-UHFFFAOYSA-N

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

  • 圖譜
    Mass

    MS-IW-0061          
    2-nitro-4-(trifluoromethyl)aniline
    C7H5F3N2O2          (Mass of molecular ion:    206)
    

       Source Temperature: 240 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          18.0       1.6
          28.0       3.6
          30.0       3.4
          37.0       1.0
          38.0       1.9
          39.0       2.2
          41.0       1.4
          50.0       1.5
          51.0       2.3
          52.0       6.0
          53.0       1.1
          57.0       2.1
          61.0       1.2
          62.0       2.7
          63.0       8.4
          64.0       3.4
          65.0       2.5
          69.0       2.9
          75.0       2.9
          76.0       1.4
          78.0       1.5
          81.0       1.3
          82.0       1.0
          83.0       5.2
          88.0       1.7
          89.0       1.6
          90.0       2.2
          91.0       2.6
          95.0       2.3
          98.0       1.5
         100.0       1.0
         101.0       2.3
         107.0       1.0
         108.0       1.1
         109.0       1.3
         110.0       2.6
         113.0      17.9
         114.0       3.4
         120.0      11.3
         121.0       1.2
         127.0       1.1
         128.0       1.7
         132.0       3.4
         133.0      11.0
         134.0       1.0
         139.0       2.1
         140.0      24.0
         141.0       6.0
         143.0       1.7
         145.0       1.1
         148.0      11.6
         158.0       1.5
         159.0       3.7
         160.0      61.6
         161.0       4.9
         176.0      10.4
         187.0       8.5
         189.0       4.3
         190.0       2.6
         206.0     100.0
         207.0       9.0
    

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C7 H5 F3 N2 O2 0.041 g : 0.5 ml CDCl3
    2-nitro-4-(trifluoromethyl)aniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.421 B 7.556 C 6.933 D 6.43

         Hz     ppm     Int.
    

       3366.46   8.424    992
       3365.48   8.422   1000
       3025.27   7.570    598
       3023.19   7.565    595
       3016.48   7.548    640
       3014.40   7.543    637
       3010.38   7.533     30
       2775.15   6.944    922
       2766.36   6.922    862
       2569.09   6.429    206
    

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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