106-47-8

4-氯苯胺(106-47-8)红外图谱(IR3)

产品名称:4-氯苯胺

CAS:106-47-8

分子式:C6H6ClN

分子量: 127.57

InChI:InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2

InChIKey: QSNSCYSYFYORTR-UHFFFAOYSA-N

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

Mass

MS-NW-1780          
p-chloroaniline
C6H6ClN             (Mass of molecular ion:    127)

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

      28.0       3.4
      37.0       2.3
      38.0       3.3
      39.0       7.4
      40.0       1.2
      41.0       3.9
      42.0       1.2
      44.5       1.6
      45.5       7.2
      50.0       2.2
      51.0       1.7
      52.0       3.1
      61.0       1.8
      62.0       2.9
      63.0       6.3
      64.0       5.6
      65.0      24.2
      66.0       3.0
      73.0       3.2
      74.0       1.2
      75.0       2.0
      90.0       2.0
      91.0      11.2
      92.0      18.0
      93.0       1.2
      99.0       5.4
     100.0       8.7
     101.0       2.4
     102.0       2.8
     126.0       1.9
     127.0     100.0
     128.0       7.5
     129.0      32.4
     130.0       2.3
     196.0       1.3
     210.0       1.8
     287.0       1.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₆ Cl N	0.045 g : 0.5 ml CDCl₃
p-chloroaniline

    Assign.     Shift(ppm)

      A             7.074
      B             6.574
      C             3.57
     
     J(A,B)=8.8HZ

     Hz     ppm     Int.

    641.69   7.165     66
    638.69   7.132    739
    636.44   7.107    242
    635.00   7.091     43
    634.69   7.087     42
    632.13   7.059    296
    629.81   7.033   1000
    626.75   6.999    128
    595.44   6.649    108
    592.38   6.615    998
    590.13   6.590    271
    585.75   6.541    234
    583.56   6.516    625
    580.44   6.482     69
    319.56   3.569    359

in CDCl3