o-Phenylenediamine(95-54-5) ¹³C NMR

Product Nameo-Phenylenediamine

CAS 95-54-5

Molecular FormulaC6H8N2

Molecular Weight108.14

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

InChIKey GEYOCULIXLDCMW-UHFFFAOYSA-N

SmilesC1(N)=CC=CC=C1N

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Mass

MS-NW-1719          
o-phenylenediamine
C6H8N2              (Mass of molecular ion:    108)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       1.0
      26.0       1.0
      27.0       3.5
      28.0       8.8
      29.0       1.0
      30.0       1.0
      37.0       1.2
      38.0       2.8
      39.0       5.5
      40.0       1.7
      41.0       4.1
      42.0       1.7
      43.0       1.2
      50.0       2.9
      51.0       5.4
      52.0       9.6
      53.0      12.6
      54.0       9.4
      55.0       1.1
      62.0       1.0
      63.0       4.1
      64.0       4.0
      65.0       3.2
      66.0       1.5
      67.0       2.4
      76.0       1.1
      78.0       2.2
      79.0       1.9
      80.0      48.0
      81.0      17.0
      82.0       1.5
      90.0       1.4
      91.0       4.1
     105.0       1.1
     107.0      20.6
     108.0     100.0
     109.0       7.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₈ N₂	0.040 g : 0.5 ml DMSO-d₆
o-phenylenediamine

    Assign.     Shift(ppm)

      A             6.504
      B             6.382
      C             4.36

     Hz     ppm     Int.

   2608.76   6.528     51
   2608.03   6.526     66
   2604.49   6.517    637
   2601.07   6.509    705
   2598.75   6.503    599
   2595.34   6.495    862
   2591.55   6.485    144
   2559.08   6.404    145
   2555.30   6.394    850
   2551.64   6.385    594
   2549.56   6.380    696
   2546.02   6.371    632
   2542.60   6.363     69
   2541.87   6.361     68
   1744.26   4.365   1000

in DMSO-d6

in CDCl3