間氯苯胺(108-42-9)Raman光譜

產(chǎn)品名稱:間氯苯胺

CAS:108-42-9

分子式:C6H6ClN

分子量: 127.57

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

InChIKey: PNPCRKVUWYDDST-UHFFFAOYSA-N

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

Mass

MS-NW-8468          
m-chloroaniline
C6H6ClN             (Mass of molecular ion:    127)

   Source Temperature: 250 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      28.0       3.5
      37.0       2.2
      38.0       4.2
      39.0       9.0
      40.0       1.3
      41.0       3.9
      42.0       1.4
      44.5       1.3
      45.5       5.0
      50.0       2.1
      51.0       1.8
      52.0       4.1
      61.0       2.0
      62.0       3.3
      63.0       7.5
      63.5       2.7
      64.0       7.2
      65.0      30.5
      66.0       3.9
      73.0       2.8
      74.0       1.3
      75.0       2.3
      90.0       2.3
      91.0       6.9
      92.0      21.9
      93.0       1.8
      99.0       4.8
     100.0       9.9
     101.0       2.4
     102.0       3.2
     126.0       1.6
     127.0     100.0
     128.0       7.5
     129.0      31.9
     130.0       2.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₆ Cl N	0.05 ml : 0.5 ml CDCl₃
m-chloroaniline

    Assign.     Shift(ppm)

      A             7.003
      B             6.686
      C             6.589
      D             6.463
      E             3.66

     Hz     ppm     Int.

   2809.08   7.029    514
   2800.90   7.009   1000
   2793.09   6.989    611
   2677.61   6.700    450
   2676.76   6.698    479
   2675.66   6.696    504
   2674.68   6.693    488
   2669.68   6.681    405
   2668.82   6.678    424
   2667.72   6.676    468
   2666.87   6.674    447
   2635.50   6.595    598
   2633.30   6.590    999
   2631.23   6.584    596
   2588.38   6.477    473
   2587.40   6.475    472
   2586.06   6.471    441
   2585.21   6.469    446
   2583.37   6.465     42
   2582.28   6.462     44
   2580.32   6.457    447
   2579.35   6.455    451
   2578.00   6.451    427
   2577.15   6.449    424
   1462.16   3.659    176
      0.00   0.001    336

in CDCl3