98-16-8

3-Aminobenzotrifluoride(98-16-8) Raman

Product Name3-Aminobenzotrifluoride

CAS 98-16-8

Molecular FormulaC7H6F3N

Molecular Weight161.12

InChIInChI=1S/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2

InChIKey VIUDTWATMPPKEL-UHFFFAOYSA-N

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

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3-Aminobenzotrifluoride(98-16-8) Raman
Mass

MS-NW-5060          
m-(trifluoromethyl)aniline
C7H6F3N             (Mass of molecular ion:    161)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      28.0       2.5
      37.0       1.1
      38.0       2.2
      39.0       4.6
      41.0       2.3
      50.0       1.5
      51.0       1.2
      52.0       2.3
      55.5       1.0
      57.0       1.4
      61.0       1.0
      62.0       1.7
      63.0       4.1
      64.0       2.3
      65.0       8.4
      66.0       1.4
      69.0       1.5
      70.5       1.1
      71.0       1.6
      75.0       2.3
      80.5       2.7
      83.0       2.6
      84.0       1.7
      88.0       1.5
      91.0       2.7
      92.0       2.3
      95.0       1.4
     111.0      11.3
     112.0       1.0
     113.0       3.2
     114.0      20.2
     115.0       2.2
     120.0       1.6
     122.0       1.4
     133.0       2.4
     134.0       1.5
     140.0       5.7
     141.0       3.7
     142.0      19.4
     143.0       1.9
     145.0       1.8
     160.0       7.0
     161.0     100.0
     162.0       8.2

90 MHz in CDCl3

3-Aminobenzotrifluoride(98-16-8) Raman

¹H NMR	89.56 MHz
C₇ H₆ F₃ N	0.02 ml : 0.5 ml CDCl₃
m-(trifluoromethyl)aniline

    Assign.     Shift(ppm)

      A             7.213
      B             6.9
      C             6.8
      D             6.86
      E             3.7

     Hz     ppm     Int.

    656.31   7.329    167
    655.44   7.319    242
    654.69   7.311    175
    648.69   7.244    538
    647.88   7.235    723
    647.19   7.227    491
    641.00   7.158    440
    640.25   7.149    656
    639.50   7.141    473
    628.19   7.015    627
    627.56   7.008    602
    627.00   7.001    577
    626.44   6.995    435
    624.38   6.972     76
    623.00   6.957     82
    622.31   6.949    139
    620.63   6.930    344
    620.00   6.923    371
    619.38   6.916    355
    618.56   6.907    380
    617.75   6.898    445
    617.00   6.890    506
    616.06   6.879    776
    615.38   6.872    922
    614.63   6.863    829
    613.69   6.853   1000
    613.06   6.846    914
    612.38   6.838    699
    610.69   6.819    290
    606.06   6.768    267
    605.44   6.761    326
    604.81   6.754    334
    604.13   6.746    329
    603.75   6.742    298
    603.06   6.734    243
    602.44   6.727    231
    601.94   6.722    187
    334.19   3.732    239

in CDCl3