95-76-1

3,4-二氯苯胺(95-76-1)核磁图(¹³CNMR)

产品名称:3,4-二氯苯胺

CAS:95-76-1

分子式:C6H5Cl2N

分子量: 162.02

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

InChIKey: SDYWXFYBZPNOFX-UHFFFAOYSA-N

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

Mass

MS-NW-1634          
3,4-dichloroaniline
C6H5Cl2N            (Mass of molecular ion:    161)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      28.0       2.9
      37.0       2.4
      38.0       2.2
      39.0       2.6
      41.0       3.9
      44.5       4.0
      45.5       1.3
      49.0       1.1
      50.0       1.7
      52.0       3.1
      61.0       3.4
      62.0       5.5
      62.5       4.9
      63.0      11.9
      63.5       1.6
      64.0       3.0
      65.0       2.5
      72.0       1.7
      73.0       5.0
      74.0       1.7
      75.0       1.9
      80.5       4.8
      81.5       2.9
      88.0       1.0
      89.0       2.3
      90.0      16.2
      91.0       4.8
      97.0       1.6
      98.0       1.9
      99.0      16.5
     100.0       1.8
     101.0       5.8
     124.0       1.1
     125.0       6.5
     126.0      11.3
     127.0       2.9
     128.0       3.6
     133.0       3.4
     134.0       4.1
     135.0       2.6
     136.0       2.6
     160.0       1.3
     161.0     100.0
     162.0       7.8
     163.0      63.5
     164.0       4.6
     165.0      10.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₅ Cl₂ N	0.041 g : 0.5 ml CDCl₃
3,4-dichloroaniline

    Assign.     Shift(ppm)

      A             7.148
      B             6.735
      C             6.482
      D             3.70
     
     J(A,C)=8.6HZ
     J(B,C)=2.7HZ

     Hz     ppm     Int.

    645.19   7.204    719
    636.63   7.109    949
    604.75   6.753    758
    602.13   6.724   1000
    585.63   6.539    597
    582.94   6.509    497
    577.06   6.444    453
    574.38   6.414    392
    330.94   3.696    240

in CDCl3