3209-22-1

2,3-二氯硝基苯(3209-22-1)核磁图(¹³CNMR)

产品名称:2,3-二氯硝基苯

CAS:3209-22-1

分子式:C6H3Cl2NO2

分子量: 192

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

InChIKey: CMVQZRLQEOAYSW-UHFFFAOYSA-N

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

Mass

MS-NW-8884          
1,2-dichloro-3-nitrobenzene
C6H3Cl2NO2          (Mass of molecular ion:    191)

   Source Temperature: 280 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      28.0       3.5
      30.0      40.2
      36.0       3.2
      37.0       3.9
      38.0       3.2
      39.0       1.9
      46.0       1.0
      49.0       4.3
      50.0       8.5
      51.0       2.8
      61.0       4.4
      62.0       3.1
      63.0       6.7
      72.0       2.8
      73.0      12.5
      74.0      42.4
      75.0      39.2
      76.0       2.7
      83.0       2.3
      84.0      17.7
      85.0      11.4
      86.0       6.5
      87.0       4.2
      88.0       1.0
      97.0       2.4
      98.0       1.9
     107.0       3.2
     108.0       2.8
     109.0      94.5
     110.0      18.5
     111.0      31.0
     112.0       5.8
     119.0       2.4
     121.0       1.7
     126.0       2.5
     128.0       1.1
     133.0      67.6
     134.0       3.9
     135.0      43.7
     136.0       2.5
     137.0       7.1
     144.0       1.4
     145.0     100.0
     146.0       7.5
     147.0      63.6
     148.0       4.4
     149.0      10.3
     161.0      22.8
     162.0       1.6
     163.0      14.7
     164.0       1.0
     165.0       2.5
     175.0       2.1
     177.0       1.4
     191.0      96.7
     192.0       6.9
     193.0      62.4
     194.0       4.4
     195.0      10.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₃ Cl₂ N O₂	0.05 ml : 0.5 ml CDCl₃
1,2-dichloro-3-nitrobenzene

    Assign.     Shift(ppm)

      A             7.70
      B             7.69
      C             7.37
     
     A AND B WERE CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

    695.38   7.765    254
    694.63   7.757    447
    693.63   7.745    402
    692.81   7.736    334
    686.50   7.666    926
    685.75   7.657   1000
    667.63   7.455    575
    660.56   7.376    315
    658.69   7.355    227
    651.63   7.276    274

in CDCl3