29682-46-0

2,6-二氯-3-硝基甲苯(29682-46-0)核磁图(¹HNMR)

产品名称:2,6-二氯-3-硝基甲苯

CAS:29682-46-0

分子式:C7H5Cl2NO2

分子量: 206.03

InChI:InChI=1S/C7H5Cl2NO2/c1-4-5(8)2-3-6(7(4)9)10(11)12/h2-3H,1H3

InChIKey: WBNZUUIFTPNYRN-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=C([N+]([O-])=O)C(Cl)=C1C

Mass

MS-IW-3628          
2,6-dichloro-3-nitrotoluene
C7H5Cl2NO2          (Mass of molecular ion:    205)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       1.5
      28.0       5.1
      30.0      21.7
      36.0       4.1
      37.0       5.0
      38.0       6.1
      39.0      16.5
      43.0       4.3
      43.5       1.2
      44.0       1.9
      46.0       1.1
      47.0       1.4
      49.0       5.0
      50.0      10.9
      51.0      14.0
      52.0       1.6
      60.0       2.3
      61.0      11.3
      62.0      24.0
      63.0      49.6
      64.0       6.2
      72.0       4.1
      73.0      32.3
      74.0       9.8
      75.0      21.7
      76.0       3.5
      77.0       7.7
      78.0       1.2
      83.0       2.0
      84.0       4.6
      85.0      10.1
      86.0      12.0
      87.0      17.2
      88.0       6.4
      89.0      49.8
      90.0       4.2
      96.0       3.1
      97.0      18.2
      98.0       2.6
      99.0      21.0
     100.0       1.6
     101.0       5.1
     102.0       1.9
     105.0       1.7
     107.0       3.4
     108.0       1.2
     109.0       5.0
     111.0      63.4
     112.0      21.8
     113.0      21.1
     114.0       7.2
     121.0       1.2
     123.0      75.1
     124.0      34.9
     125.0      26.9
     126.0      11.4
     133.0      16.1
     134.0       1.0
     135.0      10.2
     137.0       1.8
     139.0       3.1
     140.0       2.8
     141.0       1.2
     142.0       1.0
     147.0      33.2
     148.0       2.6
     149.0      21.6
     150.0       1.5
     151.0       3.6
     157.0       1.0
     158.0       3.3
     159.0      59.0
     160.0       6.7
     161.0      37.7
     162.0       3.4
     163.0       6.1
     170.0       1.4
     175.0      74.6
     176.0       5.9
     177.0      48.6
     178.0       3.8
     179.0       7.9
     189.0       3.5
     191.0       2.3
     205.0     100.0
     206.0       8.3
     207.0      64.2
     208.0       5.2
     209.0      10.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₅ Cl₂ N O₂	0.037 g : 0.5 ml CDCl₃
2,6-dichloro-3-nitrotoluene

    Assign.     Shift(ppm)

      A             7.579
      B             7.428
      C             2.569
     
     J(A,B)=8.7HZ
     J(A,C)=-0.5HZ

     Hz     ppm     Int.

   3034.18   7.593    118
   3033.69   7.591    125
   3025.51   7.571    155
   3025.02   7.570    166
   2972.29   7.438    219
   2963.62   7.416    167
   1026.86   2.570   1000

in CDCl3