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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>194853-86-6更多圖譜> 4-氟-2-(三氟甲基)苯甲腈(194853-86-6)紅外圖譜(IR1)

194853-86-6

4-氟-2-(三氟甲基)苯甲腈(194853-86-6)紅外圖譜(IR1)

分子式:C8H3F4N

分子量: 189.11

InChI:InChI=1S/C8H3F4N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H

InChIKey: LCCPQUYXMFXCAC-UHFFFAOYSA-N

Smiles:C(#N)C1=CC=C(F)C=C1C(F)(F)F

  • 圖譜
    Mass

    MS-IW-3616          
    4-fluoro-2-(trifluoromethyl)benzonitrile
    C8H3F4N             (Mass of molecular ion:    189)
    

       Source Temperature: 230 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          31.0       2.7
          37.0       1.1
          50.0       2.9
          51.0       1.2
          57.0       1.6
          61.0       1.3
          62.0       1.5
          63.0       1.3
          68.0       2.3
          69.0      10.1
          74.0       2.1
          75.0       6.7
          76.0       1.5
          85.0       1.9
          87.0       1.0
          88.0       2.5
          93.0       4.9
          94.0       2.5
          94.5       1.3
          99.0       3.2
         100.0       7.2
         112.0       2.4
         113.0       1.2
         119.0       1.9
         120.0       6.0
         139.0      38.4
         140.0       3.1
         143.0       2.9
         144.0       8.3
         150.0       1.5
         162.0       1.9
         163.0       3.2
         169.0       2.2
         170.0      41.2
         171.0       3.8
         188.0      11.4
         189.0     100.0
         190.0       9.1
    

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C8 H3 F4 N 0.045 g : 0.5 ml CDCl3
    4-fluoro-2-(trifluoromethyl)benzonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.902 B 7.535 C 7.423

         Hz     ppm     Int.
    

       3165.16   7.920    685
       3164.79   7.919    693
       3159.79   7.907    724
       3156.25   7.898    772
       3151.49   7.886    745
       3151.12   7.885    752
       3016.97   7.550    924
       3014.40   7.543   1000
       3008.67   7.529    929
       3006.10   7.522    999
       2976.07   7.447    535
       2975.59   7.446    544
       2973.51   7.441    483
       2973.02   7.440    477
       2968.63   7.429    621
       2968.02   7.427    763
       2967.53   7.426    769
       2966.92   7.424    674
       2966.06   7.422    643
       2965.45   7.421    700
       2964.97   7.419    660
       2959.96   7.407    496
       2959.47   7.406    501
       2957.40   7.400    440
       2956.91   7.399    428
    

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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