611-06-3

2,4-二氯硝基苯(611-06-3)质谱(MS)

产品名称:2,4-二氯硝基苯

CAS:611-06-3

分子式:C6H3Cl2NO2

分子量: 192

InChI:InChI=1S/C6H3Cl2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H

InChIKey: QUIMTLZDMCNYGY-UHFFFAOYSA-N

Smiles:C1([N+]([O-])=O)=CC=C(Cl)C=C1Cl

Mass

MS-NW-7626          
2,4-dichloro-1-nitrobenzene
C6H3Cl2NO2          (Mass of molecular ion:    191)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      26.0       1.1
      28.0       8.0
      30.0      44.7
      35.0       1.7
      36.0       6.8
      37.0      10.7
      38.0       6.2
      39.0       1.5
      44.0       1.3
      46.0       1.8
      47.0       2.1
      48.0       1.3
      49.0       5.9
      50.0      21.9
      51.0       3.6
      54.5       1.2
      55.0       1.0
      60.0       3.0
      61.0       6.5
      62.0       5.9
      63.0       9.2
      64.0       1.5
      71.0       1.0
      72.0       3.8
      73.0      19.2
      74.0      58.9
      75.0      46.3
      76.0       3.7
      83.0       3.8
      84.0      15.2
      85.0      12.3
      86.0       5.9
      87.0       4.6
      88.0       1.4
      97.0       3.0
      98.0       2.0
      99.0       1.2
     107.0       2.6
     108.0       3.4
     109.0     100.0
     110.0      20.9
     111.0      33.2
     112.0       6.7
     119.0       2.4
     121.0       1.6
     124.0       1.3
     126.0       1.6
     133.0      62.0
     134.0       3.8
     135.0      41.1
     136.0       2.5
     137.0       6.4
     144.0       1.7
     145.0      76.9
     146.0       6.3
     147.0      49.0
     148.0       3.7
     149.0       8.2
     161.0      62.7
     162.0       4.7
     163.0      40.8
     164.0       2.9
     165.0       6.7
     175.0       5.5
     177.0       3.8
     191.0      92.0
     192.0       7.0
     193.0      59.0
     194.0       4.6
     195.0      10.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₃ Cl₂ N O₂	0.043 g : 0.5 ml CDCl₃
2,4-dichloro-1-nitrobenzene

    Assign.     Shift(ppm)

      A             7.873
      B             7.574
      C             7.410
     
     J(A,C)=8.7HZ. J(B,C)=2.2HZ.

     Hz     ppm     Int.

    710.31   7.932    566
    701.63   7.835    838
    679.56   7.588    717
    677.44   7.565   1000
    668.06   7.460    790
    665.88   7.436    573
    663.50   7.409     26
    659.38   7.363    508
    657.19   7.338    408
    655.44   7.319     28

in CDCl3