446-11-7

4-氟-3-硝基甲苯(446-11-7)紅外圖譜(IR2)

產(chǎn)品名稱:4-氟-3-硝基甲苯

CAS:446-11-7

分子式:C7H6FNO2

分子量: 155.13

InChI:InChI=1S/C7H6FNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3

InChIKey: OORBDHOQLZRIQR-UHFFFAOYSA-N

Smiles:C1(F)=CC=C(C)C=C1[N+]([O-])=O

Mass

MS-NW-7391          
4-fluoro-3-nitrotoluene
C7H6FNO2            (Mass of molecular ion:    155)

   Source Temperature: 210 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       1.9
      28.0       2.8
      30.0      12.9
      31.0       3.9
      37.0       1.5
      38.0       2.4
      39.0      11.0
      46.0       1.3
      50.0       6.1
      51.0       9.6
      52.0       1.9
      53.0       1.1
      56.0       2.5
      57.0      22.0
      58.0       1.2
      59.0       8.8
      61.0       3.0
      62.0       6.2
      63.0      16.5
      64.0       1.9
      65.0       1.2
      68.0       2.1
      69.0       1.6
      70.0       2.2
      71.0       1.8
      74.0       2.5
      75.0       2.7
      77.0      18.9
      78.0       2.3
      80.0       1.8
      81.0      11.1
      82.0       3.8
      83.0      77.7
      84.0       4.8
      85.0       1.4
      86.0       1.7
      87.0       1.8
      88.0       1.0
      89.0       9.1
      90.0       1.3
      94.0       1.4
      95.0      11.8
      96.0       5.3
      97.0      38.9
      98.0       3.4
     105.0       2.0
     107.0      20.8
     108.0      14.1
     109.0      62.6
     110.0       5.6
     124.0       1.0
     125.0      12.6
     126.0       1.2
     138.0       1.5
     139.0       3.7
     154.0       1.4
     155.0     100.0
     156.0       8.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₆ F N O₂	saturated in CDCl₃
4-fluoro-3-nitrotoluene

    Assign.     Shift(ppm)

      A             7.86
      B             7.42
      C             7.18
      D             2.418

     Hz     ppm     Int.

    707.88   7.904    119
    706.19   7.886    119
    701.13   7.829    115
    699.06   7.806    112
    669.25   7.473     72
    668.56   7.465     73
    666.81   7.446     74
    666.31   7.440     85
    665.13   7.427    115
    664.50   7.420    115
    663.81   7.412     86
    662.88   7.402    113
    662.25   7.395    112
    661.44   7.386     82
    660.75   7.378    106
    660.00   7.370     99
    659.44   7.364     74
    659.00   7.359     70
    658.38   7.352     90
    657.81   7.345     87
    651.00   7.269    618
    642.56   7.175    120
    640.50   7.152    203
    631.94   7.057    100
    216.94   2.423   1000
    216.44   2.417    996

in CDCl3