394-25-2

4-甲氧基-3-硝基三氟甲基苯(394-25-2)核磁图(¹³CNMR)

产品名称:4-甲氧基-3-硝基三氟甲基苯

CAS:394-25-2

分子式:C8H6F3NO3

分子量: 221.13

InChI:InChI=1S/C8H6F3NO3/c1-15-7-3-2-5(8(9,10)11)4-6(7)12(13)14/h2-4H,1H3

InChIKey: MAAFHLOZHBKYTG-UHFFFAOYSA-N

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

Mass

MS-NW-8792          
2-nitro-4-(trifluoromethyl)anisole
C8H6F3NO3           (Mass of molecular ion:    221)

   Source Temperature: 270 °C
   Sample Temperature: 120 °C
   Reservoir, 75 eV

      15.0       2.7
      28.0       3.3
      29.0       2.0
      30.0       8.8
      31.0       7.7
      37.0       1.5
      38.0       2.4
      39.0       1.9
      50.0       7.9
      51.0       6.2
      53.0       4.2
      56.0       1.0
      57.0       4.6
      61.0       2.2
      62.0       7.3
      63.0      32.7
      64.0       2.5
      65.0       1.2
      68.0       1.2
      69.0       6.4
      70.0       1.5
      74.0       5.1
      75.0      16.3
      76.0       4.9
      77.0       3.7
      78.0       2.4
      79.0       1.8
      81.0       6.5
      82.0       3.0
      83.0       3.3
      87.0       1.5
      88.0       1.8
      93.0       1.7
      94.0       3.8
      95.0      18.4
      96.0       3.3
      99.0       2.5
     100.0       1.4
     101.0       2.9
     106.0       1.9
     107.0       3.6
     110.0       3.4
     112.0       3.7
     113.0      10.5
     114.0       2.0
     115.0       3.4
     119.0       3.2
     120.0       6.7
     123.0       1.4
     125.0      12.1
     126.0      23.0
     127.0      15.6
     128.0       1.7
     129.0       1.4
     131.0       1.5
     132.0      33.7
     133.0       9.9
     141.0      13.5
     142.0       1.7
     143.0       8.6
     144.0       4.2
     145.0      84.7
     146.0      28.1
     147.0       9.5
     148.0       6.7
     149.0       1.2
     159.0       1.2
     160.0      65.3
     161.0      46.8
     162.0       6.0
     163.0      22.3
     164.0       2.8
     174.0     100.0
     175.0       9.7
     176.0       1.7
     177.0       1.1
     188.0       1.1
     191.0      73.6
     192.0      10.7
     202.0      19.2
     203.0       1.8
     205.0       1.1
     207.0       3.4
     221.0      62.8
     222.0       6.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₆ F₃ N O₃	0.05 g : 0.5 ml CDCl₃
2-nitro-4-(trifluoromethyl)anisole

    Assign.     Shift(ppm)

      A             8.113
      B             7.81
      C             7.250
      D             4.045

     Hz     ppm     Int.

    727.81   8.127     98
    725.63   8.103    106
    705.81   7.881     54
    705.25   7.875     52
    704.19   7.863     37
    703.50   7.856     44
    703.00   7.850     39
    697.00   7.783     71
    696.44   7.777     68
    695.50   7.766     48
    694.69   7.757     61
    694.06   7.750     52
    652.50   7.286    141
    643.75   7.188     73
    368.06   4.110     24
    362.31   4.046   1000

in CDCl3