1251-85-0

二安替比林甲烷(1251-85-0)红外图谱(IR2)

分子式:C23H24N4O2

分子量: 388.46

InChI:InChI=1S/C23H24N4O2/c1-16-20(22(28)26(24(16)3)18-11-7-5-8-12-18)15-21-17(2)25(4)27(23(21)29)19-13-9-6-10-14-19/h5-14H,15H2,1-4H3

InChIKey: QATHNKNPUVVKHK-UHFFFAOYSA-N

Smiles:C(C1=C(C)N(C)N(C2=CC=CC=C2)C1=O)C1=C(C)N(C)N(C2=CC=CC=C2)C1=O

Mass

MS-NW-7217          
4,4'-methylenebis(2,3-dimethyl-1-phenyl-3-pyrazolin-5-one)
C23H24N4O2 H2O      (Mass of molecular ion:    388)

   Source Temperature: 190 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      15.0       2.3
      17.0       2.0
      18.0       9.8
      27.0       1.2
      28.0       2.4
      29.0       1.2
      39.0       3.1
      41.0       2.2
      42.0       5.1
      43.0       1.7
      51.0       4.2
      52.0       1.2
      53.0       2.9
      54.0       1.2
      55.0       3.3
      56.0     100.0
      57.0       4.0
      63.0       1.3
      64.0       1.8
      65.0       4.1
      66.0       1.9
      67.0       3.0
      68.0       2.6
      77.0      15.4
      78.0       2.2
      79.0       1.4
      80.0       1.7
      81.0       1.6
      82.0       3.3
      91.0       3.9
      92.0       2.1
      93.0       3.3
      94.0       1.8
      96.0       2.2
     104.0       1.7
     105.0       2.2
     106.0       3.3
     107.0       1.3
     108.0       1.8
     118.0       2.9
     119.0       2.2
     120.0       3.0
     121.0       1.6
     122.0       2.5
     130.0       1.3
     131.0       1.3
     132.0       1.1
     133.0       1.2
     134.0       1.6
     135.0       1.9
     136.0       1.1
     144.0       1.2
     147.0       1.8
     148.0       2.7
     149.0       2.3
     150.0       1.1
     163.0       1.0
     165.0       2.8
     166.0       1.0
     171.0       1.1
     172.0       1.1
     175.0       1.2
     176.0       5.1
     177.0      63.6
     178.0       9.3
     179.0       1.1
     180.0       1.5
     185.0       5.0
     186.0       1.5
     187.0       1.0
     188.0       1.9
     189.0       1.1
     194.0       7.0
     194.5       2.0
     197.0       1.2
     199.0       1.1
     200.0       8.8
     201.0      25.8
     202.0       4.5
     203.0       1.4
     211.0       1.3
     213.0       3.4
     214.0       3.0
     225.0       1.5
     227.0       1.2
     237.0       2.0
     238.0       1.2
     239.0       5.1
     240.0       6.6
     241.0      11.5
     242.0       2.2
     253.0       1.0
     254.0       5.3
     255.0       1.4
     265.0       1.2
     267.0       3.2
     268.0      12.9
     269.0      26.6
     270.0       5.4
     280.0       1.0
     294.0       1.3
     296.0      14.0
     297.0       3.0
     332.0       2.4
     358.0       1.4
     373.0       3.4
     374.0       1.0
     387.0       3.8
     388.0      44.0
     389.0      11.7
     390.0       2.2

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₃ H₂₄ N₄ O₂	0.039 g : 0.5 ml CDCl₃
4,4'-methylenebis(2,3-dimethyl-1-phenyl-3-pyrazolin-5-one)

    Assign.     Shift(ppm)

      A             7.417
      B             7.382
      C             7.234
      D             3.271
      E             2.988
      F             2.441

     Hz     ppm     Int.

   2974.24   7.443     62
   2972.41   7.438     31
   2967.53   7.426     92
   2965.94   7.422    192
   2964.60   7.418     49
   2961.18   7.410     52
   2958.98   7.404    183
   2954.22   7.393    225
   2952.39   7.388    246
   2950.07   7.382     45
   2947.39   7.375     42
   2945.56   7.371    105
   2944.70   7.369     54
   2943.97   7.367     64
   2899.29   7.255     40
   2897.71   7.251     63
   2896.12   7.247     35
   2892.46   7.238     47
   2891.97   7.237     48
   2890.63   7.233    110
   2889.65   7.231     43
   2888.67   7.229     32
   2885.25   7.220     31
   2883.54   7.216     49
   1307.50   3.272    209
   1194.09   2.988   1000
    975.83   2.442    844

¹H NMR	89.56 MHz
C₂₃ H₂₄ N₄ O₂	0.039 g : 0.5 ml CDCl₃
4,4'-methylenebis(2,3-dimethyl-1-phenyl-3-pyrazolin-5-one)

    Assign.     Shift(ppm)

      A          7.46 to 7.11
      B             3.267
      C             2.981
      D             2.436

     Hz     ppm     Int.

    666.31   7.440     80
    665.75   7.434     79
    664.38   7.419    171
    662.38   7.396    113
    660.69   7.378    644
    658.69   7.355     83
    657.19   7.338     62
    655.56   7.320     53
    654.94   7.313     52
    653.88   7.302     73
    652.31   7.284     55
    651.44   7.274     59
    649.44   7.252     52
    647.88   7.235     38
    645.38   7.207     40
    643.69   7.188     32
    292.69   3.269    155
    267.06   2.982   1000
    218.19   2.437    759

in CDCl3