2,3,4-三氯硝基苯(17700-09-3)質(zhì)譜(MS)

產(chǎn)品名稱:2,3,4-三氯硝基苯

CAS:17700-09-3

分子式:C6H2Cl3NO2

分子量: 226.44

InChI:InChI=1S/C6H2Cl3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H

InChIKey: BGKIECJVXXHLDP-UHFFFAOYSA-N

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

Mass

MS-NW-9646          
1,2,3-trichloro-4-nitrobenzene
C6H2Cl3NO2          (Mass of molecular ion:    225)

   Source Temperature: 270 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       2.0
      28.0       2.8
      30.0      36.3
      35.0       1.2
      36.0       4.0
      37.0       6.1
      38.0       2.6
      47.0       1.9
      48.0       1.0
      49.0       3.8
      50.0       2.9
      54.0       1.4
      60.0       2.0
      61.0       5.4
      62.0       3.8
      71.0       2.2
      72.0       4.5
      73.0      17.2
      74.0      41.7
      75.0       3.9
      83.0       5.5
      84.0      19.6
      85.0       5.9
      86.0       7.0
      87.0       2.5
      88.0       1.1
      96.0       2.4
      97.0       8.5
      98.0       1.7
      99.0       2.8
     106.0       1.2
     107.0       8.7
     108.0      30.1
     109.0      43.3
     110.0      12.6
     111.0      13.5
     112.0       1.0
     118.0       4.8
     119.0       4.3
     120.0       3.3
     121.0       2.8
     122.0       1.0
     125.0       1.2
     131.0       1.3
     132.0       2.0
     133.0       1.0
     134.0       1.4
     143.0      73.7
     144.0      32.1
     145.0      49.6
     146.0      20.7
     147.0       9.1
     148.0       3.4
     158.0       1.2
     160.0       4.1
     162.0       2.6
     167.0      69.6
     168.0       4.0
     169.0      67.5
     170.0       3.7
     171.0      22.0
     172.0       1.3
     173.0       2.4
     178.0       1.1
     179.0      81.2
     180.0       7.0
     181.0      78.9
     182.0       6.1
     183.0      25.2
     184.0       1.9
     185.0       2.8
     195.0      57.7
     196.0       3.9
     197.0      55.4
     198.0       3.8
     199.0      18.4
     200.0       1.2
     201.0       2.0
     209.0       4.0
     211.0       3.8
     213.0       1.3
     225.0     100.0
     226.0       7.0
     227.0      96.3
     228.0       6.8
     229.0      31.4
     230.0       2.3
     231.0       3.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₂ Cl₃ N O₂	0.036 g : 0.5 ml CDCl₃
1,2,3-trichloro-4-nitrobenzene

    Assign.     Shift(ppm)

      A             7.681
      B             7.560
     
     J(A,B)=8.8HZ

     Hz     ppm     Int.

    694.81   7.759    222
    688.81   7.692     33
    686.00   7.660    785
    683.31   7.630     61
    682.56   7.622     57
    682.00   7.616     57
    681.69   7.612     58
    679.38   7.586   1000
    677.56   7.566     77
    675.69   7.545     42
    674.44   7.531     40
    673.94   7.526     32
    672.50   7.509     32
    670.56   7.488    300

in CDCl3