4-(Trifluoromethyl)benzylamine(3300-51-4) IR1

Product Name4-(Trifluoromethyl)benzylamine

CAS 3300-51-4

Molecular FormulaC8H8F3N

Molecular Weight175.15

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

InChIKey PRDBLLIPPDOICK-UHFFFAOYSA-N

SmilesC1(CN)=CC=C(C(F)(F)F)C=C1

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Mass

MS-IW-6468          
p-(trifluoromethyl)benzylamine
C8H8F3N             (Mass of molecular ion:    175)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0      31.2
      29.0      17.6
      30.0      53.0
      31.0       1.0
      38.0       1.1
      39.0       2.3
      50.0       4.6
      51.0       5.2
      52.0       1.6
      52.5       1.0
      57.0       1.6
      62.0       2.2
      63.0       2.7
      69.0       2.4
      74.0       2.1
      75.0       5.6
      76.0       2.1
      77.0       6.9
      77.5       3.1
      78.0       2.8
      79.0       5.0
      83.0       1.1
      89.0       2.1
      95.0       3.8
      96.0       2.2
      99.0       1.4
     104.0       3.2
     105.0       1.4
     106.0      44.0
     107.0       5.1
     108.0       1.1
     109.0       7.0
     119.0       2.6
     125.0       2.8
     126.0       1.8
     127.0      32.1
     128.0       3.0
     134.0       1.1
     136.0       1.4
     138.0       1.0
     139.0       1.0
     140.0       1.3
     145.0       8.6
     146.0       2.4
     154.0       3.5
     155.0       1.8
     156.0      10.8
     157.0       1.4
     158.0       1.3
     159.0      10.2
     160.0       1.0
     172.0       6.0
     173.0       1.4
     174.0     100.0
     175.0      64.1
     176.0       6.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₈ F₃ N	0.05 ml : 0.5 ml CDCl₃
p-(trifluoromethyl)benzylamine

    Assign.     Shift(ppm)

      A             7.56
      B             7.42
      C             3.909
      D             1.66

     Hz     ppm     Int.

    682.81   7.625    181
    679.31   7.585     66
    674.56   7.532    534
    671.00   7.493    112
    667.06   7.449    469
    658.81   7.357    168
    658.25   7.350    151
    655.25   7.317     32
    654.94   7.313     30
    654.06   7.304     24
    350.38   3.913    675
    343.81   3.839     28
    148.88   1.663   1000

in CDCl3