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3048-01-9

2-(三氟甲基)苄胺(3048-01-9)红外图谱(IR1)

分子式:C8H8F3N

分子量: 175.15

InChI:InChI=1S/C8H8F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H,5,12H2

InChIKey: ZSKQIFWUTUZAGF-UHFFFAOYSA-N

Smiles:C1(CN)=CC=CC=C1C(F)(F)F

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    Mass

    MS-NW-7467          
    o-(trifluoromethyl)benzylamine
    C8H8F3N             (Mass of molecular ion:    175)
    

       Source Temperature: 250 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          18.0       1.7
          27.0       1.2
          28.0      14.2
          29.0      21.9
          30.0     100.0
          31.0       1.6
          38.0       1.5
          39.0       3.7
          50.0       5.1
          51.0       6.4
          52.0       2.2
          57.0       2.2
          62.0       2.4
          63.0       3.3
          69.0       2.2
          74.0       2.4
          75.0       5.4
          76.0       2.4
          77.0       5.8
          77.5       1.1
          78.0       2.1
          79.0       3.5
          81.0       1.4
          83.0       1.6
          87.0       1.0
          88.0       1.1
          89.0       3.4
          90.0       1.3
          91.0       1.2
          95.0       2.3
          96.0       2.1
          99.0       1.5
         100.0       1.1
         101.0       1.5
         102.0       1.2
         104.0       1.9
         106.0      32.2
         107.0       9.1
         108.0       3.4
         109.0       7.5
         116.0       3.2
         117.0       1.1
         119.0       2.7
         125.0       3.0
         126.0       2.7
         127.0      11.1
         128.0       1.4
         134.0      21.7
         135.0       4.1
         136.0       6.7
         137.0       1.1
         138.0       1.3
         139.0       1.0
         140.0       1.4
         145.0       3.0
         146.0       2.4
         152.0       3.2
         153.0       1.1
         154.0      16.2
         155.0       2.0
         157.0       1.1
         158.0       1.7
         159.0      21.5
         160.0       4.3
         172.0       2.9
         173.0       1.0
         174.0      35.0
         175.0      24.4
         176.0       2.7
         185.0       1.3
         186.0       2.1
         330.0       2.2
         331.0       1.8
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H8 F3 N 0.05 ml : 0.5 ml CDCl3
    o-(trifluoromethyl)benzylamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.609 B 7.551 C 7.520 D 7.320 E 3.995 F 1.81

         Hz     ppm     Int.
    

       3057.62   7.651     22
       3056.52   7.648     24
       3055.66   7.646     25
       3055.05   7.645     26
       3051.27   7.635     32
       3050.78   7.634     32
       3045.41   7.621    384
       3037.35   7.601    446
       3023.56   7.566    210
       3016.36   7.548    510
       3011.72   7.536    354
       3004.39   7.518    425
       2996.95   7.499    198
       2942.50   7.363     22
       2932.62   7.338    218
       2925.17   7.320    330
       2917.60   7.301    163
       1614.14   4.039     23
       1596.80   3.996   1000
        721.92   1.807    188
    

in CDCl3

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liquid film

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