54396-44-0

2-Methyl-3-trifluoromethylaniline (54396-44-0) ¹³C NMR

Product Name2-Methyl-3-trifluoromethylaniline

CAS 54396-44-0

Molecular FormulaC8H8F3N

Molecular Weight175.15

InChIInChI=1S/C8H8F3N/c1-5-6(8(9,10)11)3-2-4-7(5)12/h2-4H,12H2,1H3

InChIKey TWLDBACVSHADLI-UHFFFAOYSA-N

SmilesC1(N)=CC=CC(C(F)(F)F)=C1C

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2-Methyl-3-trifluoromethylaniline (54396-44-0) <sup>13</sup>C NMR
Mass

MS-KW-0792          
2-methyl-3-(trifluoromethyl)aniline
C8H8F3N             (Mass of molecular ion:    175)

   Source Temperature: 250 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       1.0
      28.0       4.4
      30.0       4.4
      38.0       1.3
      39.0       3.3
      41.0       1.4
      42.0       2.6
      50.0       2.1
      51.0       4.6
      52.0       3.4
      52.5       1.8
      53.0       2.3
      54.0       1.1
      57.0       1.1
      62.0       2.0
      63.0       2.3
      64.5       2.2
      65.0       1.3
      67.5       1.2
      69.0       1.4
      75.0       2.4
      76.0       1.1
      76.5       1.1
      77.0       6.7
      77.5       7.6
      78.0       4.6
      79.0       4.3
      80.0       1.1
      89.0       1.7
      96.0       1.1
     101.0       1.2
     104.0       2.9
     106.0      55.7
     107.0       6.9
     108.0       1.7
     109.0       1.5
     124.0       1.1
     125.0       1.0
     127.0      13.5
     128.0       2.0
     134.0       2.7
     138.0       3.1
     145.0       1.9
     154.0       5.0
     155.0       2.9
     156.0       6.0
     157.0       1.3
     158.0       2.5
     159.0       1.0
     172.0       1.3
     174.0      46.1
     175.0     100.0
     176.0       9.1

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