3048-01-9

2-(三氟甲基)芐胺(3048-01-9)核磁圖(¹HNMR)

產(chǎn)品名稱:2-(三氟甲基)芐胺

CAS:3048-01-9

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

¹HNMR

¹³CNMR

IR1

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

¹H NMR	399.65 MHz
C₈ H₈ F₃ N	0.05 ml : 0.5 ml CDCl₃
o-(trifluoromethyl)benzylamine

    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