3,5-二氯苯胺(626-43-7)紅外圖譜(IR1)

產品名稱:3,5-二氯苯胺

CAS:626-43-7

分子式:C6H5Cl2N

分子量: 162.02

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

InChIKey: UQRLKWGPEVNVHT-UHFFFAOYSA-N

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

Mass

MS-NW-1615          
3,5-dichloroaniline
C6H5Cl2N            (Mass of molecular ion:    161)

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

      28.0       2.7
      37.0       2.5
      38.0       3.0
      39.0       3.0
      41.0       2.8
      44.5       4.2
      45.5       1.3
      49.0       1.0
      50.0       1.4
      52.0       3.6
      61.0       3.4
      62.0       5.9
      62.5       4.9
      63.0      13.4
      63.5       1.5
      64.0       3.2
      65.0       2.2
      73.0       4.6
      74.0       1.7
      75.0       1.7
      80.5       4.5
      81.5       2.9
      88.0       1.0
      89.0       2.2
      90.0      17.1
      91.0       4.5
      97.0       1.4
      98.0       2.3
      99.0      14.8
     100.0       1.7
     101.0       5.1
     124.0       1.0
     125.0       6.5
     126.0      12.2
     127.0       2.8
     128.0       3.8
     133.0       3.2
     134.0       4.3
     135.0       2.4
     136.0       2.6
     160.0       1.0
     161.0     100.0
     162.0       7.5
     163.0      64.0
     164.0       4.6
     165.0      10.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₅ Cl₂ N	0.044 g : 0.5 ml CDCl₃
3,5-dichloroaniline

    Assign.     Shift(ppm)

      A             6.711
      B             6.519
      C             3.8

     Hz     ppm     Int.

    603.06   6.734    190
    601.25   6.714    367
    599.56   6.695    297
    584.75   6.530   1000
    583.00   6.510    817
    581.44   6.493     42
    338.44   3.779     43

in CDCl3