608-27-5

2,3-二氯苯胺(608-27-5)ESR图谱

产品名称:2,3-二氯苯胺

CAS:608-27-5

分子式:C6H5Cl2N

分子量: 162.02

InChI:InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2

InChIKey: BRPSAOUFIJSKOT-UHFFFAOYSA-N

Smiles:C1(N)=CC=CC(Cl)=C1Cl

Mass

MS-NW-0840          
2,3-dichloroaniline
C6H5Cl2N            (Mass of molecular ion:    161)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       4.7
      36.0       1.0
      37.0       3.6
      38.0       3.7
      39.0       3.9
      41.0       2.7
      42.0       1.2
      43.0       1.0
      44.5       5.0
      45.0       1.1
      45.5       1.5
      49.0       1.2
      50.0       1.5
      51.0       1.1
      52.0       3.8
      57.0       1.1
      61.0       3.4
      62.0       6.1
      62.5       6.3
      63.0      14.0
      63.5       2.1
      64.0       4.1
      65.0       3.5
      72.0       2.0
      73.0       4.6
      74.0       1.8
      75.0       1.9
      80.5       6.0
      81.5       3.7
      86.0       1.5
      88.0       1.2
      89.0       3.4
      90.0      26.1
      91.0       5.0
      97.0       2.0
      98.0       2.8
      99.0      12.5
     100.0       2.1
     101.0       4.2
     124.0       1.4
     125.0       7.4
     126.0      11.5
     127.0       3.4
     128.0       3.7
     133.0       3.9
     134.0       2.9
     135.0       2.9
     136.0       1.9
     160.0       1.0
     161.0     100.0
     162.0       7.8
     163.0      63.9
     164.0       4.5
     165.0      10.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₅ Cl₂ N	0.04 ml : 0.5 ml CDCl₃
2,3-dichloroaniline

    Assign.     Shift(ppm)

      A             6.936
      B             6.827
      C             6.626
      D             4.1

     Hz     ppm     Int.

    631.63   7.053    219
    624.19   6.970    364
    623.69   6.964    599
    616.31   6.882   1000
    614.44   6.861    609
    612.25   6.837    914
    606.50   6.772    321
    604.31   6.748    147
    597.13   6.668    684
    594.94   6.643    485
    589.75   6.585    399
    587.56   6.561    355
    369.06   4.121     83

in CDCl3