1427-07-2

2-氟-4-硝基甲苯(1427-07-2)質(zhì)譜(MS)

產(chǎn)品名稱:2-氟-4-硝基甲苯

CAS:1427-07-2

分子式:C7H6FNO2

分子量: 155.13

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

InChIKey: WIQISTBTOQNVCE-UHFFFAOYSA-N

Smiles:C1(C)=CC=C([N+]([O-])=O)C=C1F

Mass

MS-IW-3077          
2-fluoro-4-nitrotoluene
C7H6FNO2            (Mass of molecular ion:    155)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       1.4
      28.0       3.2
      30.0       9.9
      31.0       2.7
      37.0       1.2
      38.0       2.4
      39.0      10.3
      50.0       6.4
      51.0       9.0
      52.0       1.4
      56.0       1.6
      57.0      18.5
      58.0       1.0
      59.0       7.3
      61.0       2.6
      62.0       6.0
      63.0      15.7
      64.0       1.6
      68.0       1.8
      69.0       1.8
      70.0       2.2
      71.0       1.3
      74.0       2.5
      75.0       2.7
      76.0       1.0
      77.0      10.7
      78.0       1.0
      80.0       1.3
      81.0       8.9
      82.0       3.0
      83.0      71.0
      84.0       4.2
      85.0       1.2
      86.0       1.7
      87.0       1.6
      89.0       8.5
      90.0       1.0
      94.0       1.0
      95.0       6.6
      96.0       4.0
      97.0      19.0
      98.0       1.3
     105.0       1.4
     107.0      17.6
     108.0       6.2
     109.0     100.0
     110.0       8.3
     112.0       2.4
     125.0      19.9
     126.0       1.5
     139.0       1.8
     155.0      89.4
     156.0       7.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₆ F N O₂	0.047 g : 0.5 ml CDCl₃
2-fluoro-4-nitrotoluene

    Assign.     Shift(ppm)

      A             7.950
      B             7.885
      C             7.369
      D             2.392
     
     J(A,B)=2.2HZ
     J(A,C)=8.3HZ
     J(B,F-19)=9.3HZ
     J(D,F-19)=2.2HZ

     Hz     ppm     Int.

   3183.35   7.966    126
   3181.03   7.960    154
   3174.93   7.945    142
   3172.73   7.939    175
   3157.71   7.902    154
   3155.52   7.896    142
   3151.49   7.886     28
   3148.44   7.878    157
   3146.24   7.873    151
   2953.61   7.391    135
   2953.13   7.390    141
   2945.31   7.370    258
   2937.74   7.351    133
   2937.01   7.349    137
    957.64   2.397    963
    957.28   2.396    964
    955.44   2.391   1000

in CDCl3