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返回ChemicalBook首页>CAS数据库列表>62637-92-7更多图谱> N,N-二乙基对苯二胺草酸盐(62637-92-7)核磁图(13CNMR)

62637-92-7

N,N-二乙基对苯二胺草酸盐(62637-92-7)核磁图(13CNMR)

分子式:C12H18N2O4

分子量: 254.29

InChI:InChI=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

Smiles:C1(N(CC)CC)=CC=C(N)C=C1.C(O)(=O)C(O)=O

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    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

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

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KBr disc

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nujol mull

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