間苯二胺(108-45-2)核磁圖(¹HNMR)

產(chǎn)品名稱:間苯二胺

CAS:108-45-2

分子式:C6H8N2

分子量: 108.14

InChI:InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2

InChIKey: WZCQRUWWHSTZEM-UHFFFAOYSA-N

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

Mass

MS-NW-1723          
m-phenylenediamine
C6H8N2              (Mass of molecular ion:    108)

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

      17.0       2.7
      18.0      12.2
      27.0       2.6
      28.0       8.0
      30.0       1.4
      37.0       1.2
      38.0       3.0
      39.0       6.3
      40.0       3.0
      41.0       6.2
      42.0       3.3
      43.0       1.1
      44.0       1.6
      50.0       1.5
      51.0       3.0
      52.0       6.3
      53.0      11.0
      54.0      11.4
      55.0       1.2
      62.0       1.2
      63.0       3.1
      64.0       3.8
      65.0       4.2
      66.0       2.3
      67.0       2.8
      68.0       1.2
      78.0       1.4
      79.0       1.3
      80.0      39.0
      81.0      25.4
      82.0       1.9
      90.0       1.1
      91.0       5.9
     107.0       9.1
     108.0     100.0
     109.0       7.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₈ N₂	0.039 g : 0.5 ml CDCl₃
m-phenylenediamine

    Assign.     Shift(ppm)

      A             6.912
      B             6.076
      C             5.944
      D             3.53

     Hz     ppm     Int.

   2770.39   6.933    294
   2765.63   6.921     24
   2762.70   6.913    563
   2754.88   6.894    325
   2433.23   6.089    979
   2431.03   6.083    925
   2428.22   6.076     46
   2425.42   6.069    804
   2423.22   6.064   1000
   2377.81   5.950    344
   2377.44   5.949    360
   2375.61   5.945    598
   2375.24   5.944    608
   2373.41   5.939    320
   2373.05   5.938    312
   1410.64   3.530    487

in CDCl3