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368-77-4

间三氟甲基苯腈(368-77-4)核磁图(1HNMR)

产品名称:间三氟甲基苯腈

CAS:368-77-4

分子式:C8H4F3N

分子量: 171.12

InChI:InChI=1S/C8H4F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H

InChIKey: OGOBINRVCUWLGN-UHFFFAOYSA-N

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

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    Mass

    MS-IW-9019          
    m-(trifluoromethyl)benzonitrile
    C8H4F3N             (Mass of molecular ion:    171)
    

       Source Temperature: 200 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          31.0       1.4
          37.0       1.3
          38.0       1.5
          39.0       1.3
          50.0       5.4
          51.0       4.9
          52.0       1.0
          57.0       1.3
          62.0       1.0
          69.0       4.1
          74.0       2.8
          75.0      10.3
          76.0       5.8
          85.5       1.3
          94.0       2.8
          95.0       1.3
          99.0       2.4
         100.0       2.5
         101.0       1.0
         102.0       7.3
         120.0       1.3
         121.0      34.2
         122.0       2.9
         125.0       2.0
         143.0       1.3
         144.0       1.8
         145.0       2.6
         150.0       1.1
         151.0       2.0
         152.0      28.6
         153.0       2.7
         170.0      24.2
         171.0     100.0
         172.0       9.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H4 F3 N 0.045 g : 0.5 ml CDCl3
    m-(trifluoromethyl)benzonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.935 B 7.88 C 7.677

         Hz     ppm     Int.
    

       3172.24   7.938   1000
       3171.51   7.936    911
       3170.65   7.934    733
       3164.43   7.919     32
       3157.84   7.902    514
       3157.23   7.900    555
       3155.27   7.896    389
       3152.83   7.889    626
       3151.12   7.885    584
       3150.02   7.882    663
       3149.41   7.881    682
       3147.46   7.876    514
       3146.48   7.874    604
       3146.00   7.872    632
       3144.90   7.870    697
       3075.56   7.696    522
       3070.92   7.685     78
       3067.63   7.676    842
       3063.84   7.667     62
       3062.74   7.664     58
       3059.81   7.657    362
    

in CDCl3

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liquid film

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