713-65-5

1-硝基-4-(三氟甲氧基)苯(713-65-5)质谱(MS)

产品名称:1-硝基-4-(三氟甲氧基)苯

CAS:713-65-5

分子式:C7H4F3NO3

分子量: 207.11

InChI:InChI=1S/C7H4F3NO3/c8-7(9,10)14-6-3-1-5(2-4-6)11(12)13/h1-4H

InChIKey: UBEIKVUMDBCCRW-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9022          
1-nitro-4-(trifluoromethoxy)benzene
C7H4F3NO3           (Mass of molecular ion:    207)

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

      26.0       1.5
      28.0       3.3
      30.0       8.6
      37.0       2.4
      38.0       6.9
      39.0       2.2
      50.0       9.3
      51.0       3.8
      52.0       4.8
      53.0       3.8
      54.0       1.2
      57.0       1.5
      61.0       2.3
      62.0       5.4
      63.0      18.9
      64.0      22.2
      65.0       2.0
      66.0       1.2
      69.0      41.7
      73.0       1.1
      74.0       4.8
      75.0      23.9
      76.0       5.1
      79.0       1.0
      80.0       6.8
      83.0       6.0
      92.0      25.3
      93.0       2.4
      94.0       2.0
      95.0     100.0
      96.0       6.7
     101.0       2.5
     108.0      15.9
     109.0       1.3
     113.0       1.1
     114.0       1.0
     122.0      11.6
     123.0       1.0
     142.0       3.5
     144.0       1.1
     149.0      10.0
     161.0      16.4
     162.0       1.4
     177.0      46.3
     178.0       3.8
     188.0       1.2
     191.0       3.8
     207.0      80.4
     208.0       6.7
     211.0       2.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₄ F₃ N O₃	0.05 ml : 0.5 ml CDCl₃
1-nitro-4-(trifluoromethoxy)benzene

    Assign.     Shift(ppm)

      A             8.313
      B             7.385

     Hz     ppm     Int.

   3330.32   8.334    135
   3327.15   8.326    980
   3324.83   8.320    341
   3320.07   8.308    364
   3317.75   8.302   1000
   3314.58   8.294    129
   2959.47   7.406     77
   2958.37   7.403     95
   2956.30   7.398    470
   2955.32   7.395    490
   2954.22   7.393    293
   2953.00   7.389    166
   2952.03   7.387     85
   2949.22   7.380    174
   2948.12   7.377    293
   2946.90   7.374    465
   2945.92   7.372    431

in CDCl3