2740-83-2

3-(三氟甲基)苯甲胺(2740-83-2)红外图谱(IR1)

产品名称:3-(三氟甲基)苯甲胺

CAS:2740-83-2

分子式:C8H8F3N

分子量: 175.15

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

InChIKey: YKNZTUQUXUXTLE-UHFFFAOYSA-N

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

Mass

MS-NW-7565          
m-(trifluoromethyl)benzylamine
C8H8F3N             (Mass of molecular ion:    175)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       1.7
      27.0       1.8
      28.0      47.8
      29.0      31.6
      30.0      98.6
      31.0       1.4
      38.0       1.9
      39.0       4.0
      41.0       1.0
      50.0       6.7
      51.0       7.5
      52.0       2.5
      52.5       1.1
      54.0       1.1
      57.0       2.2
      61.0       1.0
      62.0       3.1
      63.0       4.1
      69.0       3.5
      74.0       3.0
      75.0       7.0
      76.0       3.0
      77.0       8.2
      77.5       3.5
      78.0       3.6
      79.0       4.9
      81.0       1.1
      83.0       1.8
      87.0       1.2
      88.0       1.1
      89.0       2.8
      95.0       4.8
      96.0       2.6
      99.0       2.0
     101.0       1.4
     104.0       3.2
     105.0       1.5
     106.0      49.0
     107.0       6.5
     108.0       1.5
     109.0       7.6
     113.0       1.0
     114.0       1.0
     119.0       4.2
     125.0       3.8
     126.0       2.4
     127.0      31.8
     128.0       3.2
     134.0       2.6
     136.0       2.5
     138.0       1.7
     139.0       1.5
     140.0       1.0
     145.0       8.8
     146.0       2.9
     154.0       5.8
     155.0       1.6
     156.0      13.2
     157.0       2.0
     158.0       2.0
     159.0      18.6
     160.0       3.2
     172.0       6.5
     173.0       1.7
     174.0     100.0
     175.0      53.9
     176.0       4.9
     330.0       1.2
     331.0       1.6

400 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A             7.595
      B             7.49
      C             7.428
      D             3.914
      E             1.59

     Hz     ppm     Int.

   3035.77   7.597    297
   3035.16   7.595    331
   3034.55   7.594    307
   2998.41   7.503    227
   2997.80   7.502    224
   2997.19   7.500    213
   2990.23   7.483    406
   2973.88   7.442    254
   2966.43   7.423    194
   2958.62   7.404     88
   1564.45   3.915   1000
    634.16   1.587    619

in CDCl3