62637-92-7

N,N-Diethyl-p-phenylenediamine oxalate(62637-92-7) IR2

Product NameN,N-Diethyl-p-phenylenediamine oxalate

CAS 62637-92-7

Molecular FormulaC12H18N2O4

Molecular Weight254.29

InChIInChI=1S/C10H16N2.C2H2O4/c1-3-12(4-2)10-7-5-9(11)6-8-10;3-1(4)2(5)6/h5-8H,3-4,11H2,1-2H3;(H,3,4)(H,5,6)

InChIKey GXSUUFAGHVDMCO-UHFFFAOYSA-N

SmilesC1(N(CC)CC)=CC=C(N)C=C1.C(O)(=O)C(O)=O

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N,N-Diethyl-p-phenylenediamine oxalate(62637-92-7) IR2
Mass

MS-IW-3900          
N,N-diethyl-p-phenylenediamine oxalate
C10H16N2 1/2C2H2O4  (Mass of molecular ion:    164)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      17.0       1.2
      18.0       5.0
      27.0       1.1
      28.0       1.8
      29.0       1.4
      39.0       1.9
      44.0       1.1
      45.0       3.3
      46.0       2.0
      52.0       1.8
      53.0       1.3
      63.0       1.0
      65.0       7.4
      66.0       1.7
      77.0       1.4
      79.0       1.3
      80.0       1.7
      91.0       1.6
      92.0       7.4
      93.0       9.5
      94.0       3.0
     105.0       1.0
     106.0       2.9
     107.0       3.9
     118.0       1.6
     119.0      15.0
     120.0      28.2
     121.0      12.6
     122.0       1.0
     132.0       1.1
     133.0       2.4
     134.0       5.2
     135.0       3.6
     136.0       1.1
     147.0       1.2
     148.0       1.4
     149.0     100.0
     150.0      10.6
     163.0       7.4
     164.0      54.3
     165.0       6.3
     175.0       1.6

400 MHz in DMSO-d6

N,N-Diethyl-p-phenylenediamine oxalate(62637-92-7) IR2

¹H NMR	399.65 MHz
C₁₀ H₁₆ N₂	0.030 g : 0.5 ml DMSO-d₆
N,N-diethyl-p-phenylenediamine oxalate

    Assign.     Shift(ppm)

      A             6.94
      B             6.70
      C             3.28
      D             0.981

     Hz     ppm     Int.

   2781.01   6.959     94
   2780.52   6.958     94
   2779.91   6.956     95
   2778.93   6.954     95
   2778.20   6.952     95
   2777.95   6.951     95
   2777.22   6.950     95
   2776.73   6.948     95
   2776.00   6.947     96
   2775.27   6.945     96
   2774.66   6.943     95
   2774.05   6.942     96
   2773.68   6.941     96
   2773.07   6.939     96
   2772.58   6.938     96
   2772.22   6.937     95
   2771.97   6.936     95
   2771.48   6.935     95
   2770.87   6.934     96
   2770.39   6.933     95
   2770.02   6.932     95
   2769.53   6.930     95
   2769.17   6.929     95
   2768.55   6.928     95
   2768.07   6.927     95
   2767.46   6.925     94
   2767.21   6.925     94
   2766.85   6.924     94
   2766.24   6.922     94
   2765.75   6.921     94
   2765.50   6.920     94
   2764.89   6.919     93
   2764.40   6.918     93
   2763.55   6.915     92
   2762.70   6.913     92
   2761.60   6.911     90
   2760.62   6.908     89
   2758.67   6.903     87
   2758.06   6.902     87
   2754.88   6.894     82
   2753.05   6.889     80
   1317.38   3.297     82
   1316.53   3.295     82
   1316.16   3.294     82
   1315.31   3.292     83
   1314.82   3.290     83
   1313.60   3.287     84
   1313.11   3.286     84
   1312.01   3.283     85
   1311.28   3.282     86
   1310.91   3.281     86
   1310.18   3.279     85
   1309.69   3.278     85
   1309.20   3.276     84
   1308.47   3.275     84
   1307.98   3.273     83
   1307.25   3.271     83
   1306.88   3.271     83
   1306.52   3.270     83
   1305.91   3.268     82
   1305.54   3.267     82
   1305.05   3.266     82
    399.29   1.000    534
    392.33   0.982   1000
    385.38   0.965    528

in DMSO-d6 (at 80.C)