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Back ChemicalBook Home>CAS DataBase List>98-16-8More Spectrum> 3-Aminobenzotrifluoride(98-16-8) Raman

3-Aminobenzotrifluoride(98-16-8) Raman

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


  • 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


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



liquid film



4880 A,200 M,liquid



3-Aminobenzotrifluoride(98-16-8) Raman Atlas of Related Products

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