327-92-4

1,5-二氟-2,4-二硝基苯(327-92-4)质谱(MS)

产品名称:1,5-二氟-2,4-二硝基苯

CAS:327-92-4

分子式:C6H2F2N2O4

分子量: 204.09

InChI:InChI=1S/C6H2F2N2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H

InChIKey: VILFTWLXLYIEMV-UHFFFAOYSA-N

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

Mass

MS-NW-7960          
1,5-difluoro-2,4-dinitrobenzene
C6H2F2N2O4          (Mass of molecular ion:    204)

   Source Temperature: 130 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       4.4
      28.0       5.0
      30.0     100.0
      31.0       9.9
      37.0       1.7
      38.0       1.0
      46.0       9.4
      50.0       8.4
      51.0       1.2
      53.0       1.1
      56.0       3.2
      57.0       1.0
      61.0       9.6
      62.0      32.1
      63.0       2.3
      64.0       8.6
      68.0       9.2
      69.0       1.4
      73.0       1.2
      74.0       3.6
      75.0       4.4
      76.0       2.3
      80.0       3.0
      81.0      11.1
      82.0       1.2
      86.0       1.3
      87.0       1.3
      88.0       1.7
      92.0       4.5
      93.0       3.0
      94.0       1.7
      99.0       7.5
     100.0      17.9
     101.0       1.3
     111.0      10.8
     112.0      65.9
     113.0       5.9
     114.0       1.7
     125.0       4.6
     126.0       1.4
     128.0       1.9
     142.0       1.3
     174.0       5.9
     188.0       3.6
     204.0      79.5
     205.0       6.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₂ F₂ N₂ O₄	0.072 g : 0.5 ml CDCl₃
1,5-difluoro-2,4-dinitrobenzene

    Assign.     Shift(ppm)

      A             8.978
      B             7.380
     
     J(A,F-19)=7.7HZ
     J(B,F-19)=9.8HZ

     Hz     ppm     Int.

    811.69   9.064    397
    809.44   9.038     81
    809.00   9.034     79
    808.63   9.029     76
    808.38   9.027     76
    808.06   9.023     76
    807.75   9.020     80
    804.19   8.980    765
    800.19   8.935     70
    799.88   8.932     73
    799.19   8.924     85
    796.63   8.895    398
    670.94   7.492    498
    670.56   7.488    483
    663.56   7.410     88
    661.25   7.384   1000
    660.75   7.378    960
    658.19   7.350     73
    655.81   7.323     55
    655.06   7.315     62
    654.06   7.304     82
    651.50   7.275    578
    649.19   7.249     60
    648.31   7.239     55

in CDCl3