634-93-5

2,4,6-三氯苯胺(634-93-5)质谱(MS)

产品名称:2,4,6-三氯苯胺

CAS:634-93-5

分子式:C6H4Cl3N

分子量: 196.46

InChI:InChI=1S/C6H4Cl3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2

InChIKey: NATVSFWWYVJTAZ-UHFFFAOYSA-N

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

Mass

MS-NW-8752          
2,4,6-trichloroaniline
C6H4Cl3N            (Mass of molecular ion:    195)

   Source Temperature: 270 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      28.0       1.6
      36.0       1.9
      37.0       2.1
      38.0       1.7
      44.5       3.5
      48.0       1.2
      49.0       1.5
      52.0       4.0
      60.0       1.2
      61.0       4.8
      61.5       2.3
      62.0       7.8
      62.5       4.1
      63.0       4.6
      63.5       1.0
      64.0       1.1
      65.0       1.8
      72.0       1.8
      73.0       4.1
      74.0       1.7
      75.0       2.1
      79.5       5.4
      80.0       1.1
      80.5       3.6
      83.0       1.3
      85.0       1.0
      86.0       1.1
      88.0       7.3
      89.0       3.2
      90.0       2.9
      96.0       1.3
      97.0       8.6
      97.5       8.0
      98.0       2.5
      98.5       7.7
      99.0       4.2
      99.5       2.5
     100.0       1.0
     107.0       2.0
     109.0       1.5
     123.0       4.4
     124.0      20.5
     125.0       5.4
     126.0       6.8
     127.0       1.3
     132.0       3.9
     133.0       7.4
     134.0       3.2
     135.0       4.9
     159.0      13.5
     160.0       9.7
     161.0       9.3
     162.0       5.9
     163.0       1.8
     164.0       1.0
     167.0       2.7
     168.0       1.2
     169.0       2.7
     170.0       1.1
     194.0       1.3
     195.0     100.0
     196.0       8.6
     197.0      95.3
     198.0       7.5
     199.0      30.5
     200.0       2.3
     201.0       3.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₄ Cl₃ N	0.039 g : 0.5 ml CDCl₃
2,4,6-trichloroaniline

    Assign.     Shift(ppm)

      A             7.180
      B             4.42

     Hz     ppm     Int.

   2869.51   7.181   1000
   1768.80   4.426     67

in CDCl3

CCl4 solution

KBr disc

nujol mull

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