2,3,4-三氟硝基苯(771-69-7)核磁圖(¹³CNMR)

產(chǎn)品名稱(chēng):2,3,4-三氟硝基苯

CAS:771-69-7

分子式:C6H2F3NO2

分子量: 177.08

InChI:InChI=1S/C6H2F3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H

InChIKey: ARCACZWMYGILNI-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9014          
1,2,3-trifluoro-4-nitrobenzene
C6H2F3NO2           (Mass of molecular ion:    177)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       3.9
      30.0      55.6
      31.0      11.9
      37.0       2.7
      38.0       1.0
      46.0       3.5
      50.0       2.4
      51.0       4.1
      55.0       1.2
      56.0       2.6
      57.0       5.9
      61.0       7.9
      62.0       9.3
      63.0       3.5
      68.0       5.2
      69.0       8.6
      73.0       1.3
      74.0       2.6
      75.0       8.5
      76.0       1.0
      78.0       2.2
      79.0       2.2
      80.0       8.1
      81.0     100.0
      82.0       5.7
      86.0       1.5
      87.0       1.6
      92.0       2.1
      93.0       4.9
      97.0       1.0
      99.0       6.5
     100.0       2.0
     111.0       2.4
     112.0       4.0
     119.0      26.9
     120.0       1.7
     130.0       5.3
     131.0      52.6
     132.0       3.6
     145.0       1.1
     147.0      29.6
     148.0       2.1
     161.0       5.0
     163.0       1.3
     175.0       2.4
     177.0      91.9
     178.0       6.5
     182.0       1.8
     184.0       1.1
     193.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₂ F₃ N O₂	0.05 ml : 0.5 ml CDCl₃
1,2,3-trifluoro-4-nitrobenzene

    Assign.     Shift(ppm)

      A             8.000
      B             7.236

     Hz     ppm     Int.

   3209.84   8.032    465
   3207.24   8.026    503
   3204.65   8.019    520
   3202.06   8.013    918
   3200.07   8.008    735
   3199.62   8.007    696
   3197.63   8.002    691
   3197.02   8.000    646
   3194.89   7.995    702
   3192.44   7.989    952
   3190.00   7.982    542
   3187.41   7.976    483
   3184.81   7.969    478
   2905.43   7.270    607
   2902.98   7.264    657
   2898.41   7.253    685
   2896.58   7.248    877
   2895.97   7.247   1000
   2894.29   7.243    775
   2893.37   7.240    712
   2889.71   7.231    732
   2888.79   7.229    738
   2887.27   7.225    975
   2886.51   7.223    814
   2884.67   7.218    644
   2880.10   7.207    589
   2877.81   7.201    572

in CDCl3