446-10-6

4-氟-2-硝基甲苯(446-10-6)Raman光谱

产品名称:4-氟-2-硝基甲苯

CAS:446-10-6

分子式:C7H6FNO2

分子量: 155.13

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

InChIKey: SKWTUNAAJNDEIK-UHFFFAOYSA-N

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

Mass

MS-NW-5808          
4-fluoro-2-nitrotoluene
C7H6FNO2            (Mass of molecular ion:    155)

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

      18.0       1.4
      27.0       2.0
      28.0       5.5
      29.0       1.5
      30.0       5.4
      31.0       4.2
      33.0       1.0
      37.0       1.6
      38.0       2.7
      39.0      11.2
      43.0       1.1
      44.0       1.9
      46.0       1.0
      49.0       1.1
      50.0       6.7
      51.0       9.1
      52.0       1.8
      56.0       2.3
      57.0      20.1
      58.0       1.2
      59.0       7.1
      61.0       2.8
      62.0       6.6
      63.0      15.7
      64.0       2.4
      65.0       1.2
      68.0       1.8
      69.0       1.9
      70.0       2.6
      71.0       1.3
      74.0       2.5
      75.0       3.9
      76.0       1.3
      77.0       8.3
      78.0       1.0
      80.0       1.4
      81.0       9.1
      82.0       5.8
      83.0      83.9
      84.0       7.7
      85.0       1.5
      86.0       1.6
      87.0       1.8
      88.0       1.2
      89.0       7.8
      90.0       7.2
      94.0       2.1
      95.0       8.5
      96.0       5.4
      97.0       5.3
     105.0       1.2
     107.0      24.8
     108.0      22.1
     109.0      45.9
     110.0      38.7
     111.0       6.5
     123.0       1.1
     125.0       1.7
     138.0     100.0
     139.0       9.3
     155.0      16.5
     156.0       1.5

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₆ F N O₂	0.04 ml : 0.5 ml CDCl₃
4-fluoro-2-nitrotoluene

    Assign.     Shift(ppm)

      A             7.694
      B             7.35
      C             7.24
      D             2.570
     
     J(F-19,A)=8.5HZ

     Hz     ppm     Int.

    694.44   7.754    102
    692.19   7.729    114
    686.13   7.662    108
    683.69   7.634    121
    666.00   7.437     32
    660.81   7.379     36
    660.25   7.373     46
    659.63   7.366     37
    658.13   7.349    155
    657.69   7.344    185
    656.88   7.335    140
    655.81   7.323    261
    653.50   7.297    192
    652.25   7.283    161
    651.69   7.277    221
    648.69   7.244    210
    647.19   7.227     58
    646.31   7.217    160
    645.00   7.202     48
    640.06   7.147     45
    637.63   7.120     37
    230.88   2.578   1000
    229.69   2.565    944

¹H NMR	399.65 MHz
C₇ H₆ F N O₂	0.05 ml : 0.5 ml CDCl₃
4-fluoro-2-nitrotoluene

    Assign.     Shift(ppm)

      A             7.680
      B             7.353
      C             7.254
      D             2.567
     
     90MHZ : HSP-02-573
     J(F-19,A)=8.5HZ
     J(F-19,B)=5.6HZ

     Hz     ppm     Int.

   3075.20   7.695    209
   3072.39   7.688    210
   3066.65   7.674    207
   3063.96   7.667    213
   2946.53   7.373    120
   2941.28   7.360    127
   2940.92   7.359    126
   2937.99   7.352    182
   2932.74   7.339    175
   2932.37   7.338    177
   2907.59   7.276    153
   2905.15   7.270    149
   2900.02   7.257    171
   2897.34   7.250    167
   2896.61   7.248    131
   2891.85   7.236    103
   2891.48   7.236    105
   2888.79   7.229    101
   1027.10   2.570    950
   1026.73   2.570    966
   1026.37   2.569   1000
   1025.88   2.567    982

in CDCl3